data_4UO4 # _entry.id 4UO4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4UO4 PDBE EBI-60839 WWPDB D_1290060839 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 4UNW unspecified 'STRUCTURE OF THE A_EQUINE_NEWMARKET_2_93 H3 HAEMAGGLUTININ' PDB 4UNX unspecified 'STRUCTURE OF THE A_EQUINE_NEWMARKET_2_93 H3 HAEMAGGLUTININ IN COMPLEX WITH 3SLN' PDB 4UNY unspecified 'STRUCTURE OF THE A_EQUINE_NEWMARKET_2_93 H3 HAEMAGGLUTININ IN COMPLEX WITH 6SO4-3SLN' PDB 4UNZ unspecified 'STRUCTURE OF THE A_EQUINE_NEWMARKET_2_93 H3 HAEMAGGLUTININ IN COMPLEX WITH 6SO4-SIALYL LEWIS X' PDB 4UO0 unspecified 'STRUCTURE OF THE A_EQUINE_RICHMOND_07 H3 HAEMAGGLUTININ' PDB 4UO1 unspecified 'STRUCTURE OF THE A_EQUINE_RICHMOND_07 H3 HAEMAGGLUTININ IN COMPLEX WITH 3SLN' PDB 4UO2 unspecified 'STRUCTURE OF THE A_EQUINE_RICHMOND_07 H3 HAEMAGGLUTININ IN COMPLEX WITH SIALYL LEWIS X' PDB 4UO3 unspecified 'STRUCTURE OF THE A_EQUINE_RICHMOND_07 H3 HAEMAGGLUTININ MUTANT SER30THR' PDB 4UO5 unspecified 'STRUCTURE OF THE A_CANINE_COLORADO_17864_06 H3 HAEMAGGLUTININ IN COMPLEX WITH 3SLN' PDB 4UO6 unspecified 'STRUCTURE OF THE A_CANINE_COLORADO_17864_06 H3 HAEMAGGLUTININ IN COMPLEX WITH SIALYL LEWIS X' PDB 4UO7 unspecified 'STRUCTURE OF THE A_CANINE_COLORADO_17864_06 H3 HAEMAGGLUTININ IN COMPLEX WITH 6SO4 SIALYL LEWIS X' PDB 4UO8 unspecified 'STRUCTURE OF THE A_CANINE_COLORADO_17864_06 H3 HAEMAGGLUTININ IN COMPLEX WITH 6SO4-3SLN' PDB 4UO9 unspecified 'STRUCTURE OF THE A_CANINE_COLORADO_17864_06 H3 HAEMAGGLUTININ SER30THR MUTANT' PDB 4UOA unspecified 'STRUCTURE OF THE A_CANINE_COLORADO_17864_06 H3 HAEMAGGLUTININ MET29ILE MUTANT' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4UO4 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2014-05-31 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Vachieri, S.G.' 1 'Collins, P.J.' 2 'Haire, L.F.' 3 'Ogrodowicz, R.W.' 4 'Martin, S.R.' 5 'Walker, P.A.' 6 'Xiong, X.' 7 'Gamblin, S.J.' 8 'Skehel, J.J.' 9 # _citation.id primary _citation.title 'Recent Evolution of Equine Influenza and the Origin of Canine Influenza.' _citation.journal_abbrev Proc.Natl.Acad.Sci.USA _citation.journal_volume 111 _citation.page_first 11175 _citation.page_last ? _citation.year 2014 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25024224 _citation.pdbx_database_id_DOI 10.1073/PNAS.1406606111 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Collins, P.J.' 1 primary 'Vachieri, S.G.' 2 primary 'Haire, L.F.' 3 primary 'Ogrodowicz, R.W.' 4 primary 'Martin, S.R.' 5 primary 'Walker, P.A.' 6 primary 'Xiong, X.' 7 primary 'Gamblin, S.J.' 8 primary 'Skehel, J.J.' 9 # _cell.entry_id 4UO4 _cell.length_a 96.405 _cell.length_b 96.405 _cell.length_c 347.128 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4UO4 _symmetry.space_group_name_H-M 'P 63 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 182 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'H3 HAEMAGGLUTININ HA1 CHAIN' 36345.984 1 ? ? 'RESIDUES 17-344' ? 2 polymer man 'H3 HAEMAGGLUTININ HA2 CHAIN' 20273.373 1 ? ? 'RESIDUES 345-516' ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 9 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 6 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 7 water nat water 18.015 18 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;QNPISGNNTATLCLGHHAVANGTLVKTMSDDQIEVTNATELVQSISMGKICNKSYRILDGRNCTLIDAMLGDPHCDAFQY ESWDLFIERSNAFSNCYPYDIPDYASLRSIVASSGTVEFTAEGFTWTGVTQNGRSGACKRGSADSFFSRLNWLTKSGSSY PTLNVTMPNNKNFDKLYIWGIHHPSSNQEQTKLYIQESGRVTVSTKRSQQTIIPNIGSRPLVRGQSGRISIYWTIVKPGD ILMINSNGNLVAPRGYFKLNTGKSSVMRSDVPIDICVSECITPNGSISNDKPFQNVNKVTYGKCPKYIRQNTLKLATGMR NVPEKQTR ; ;QNPISGNNTATLCLGHHAVANGTLVKTMSDDQIEVTNATELVQSISMGKICNKSYRILDGRNCTLIDAMLGDPHCDAFQY ESWDLFIERSNAFSNCYPYDIPDYASLRSIVASSGTVEFTAEGFTWTGVTQNGRSGACKRGSADSFFSRLNWLTKSGSSY PTLNVTMPNNKNFDKLYIWGIHHPSSNQEQTKLYIQESGRVTVSTKRSQQTIIPNIGSRPLVRGQSGRISIYWTIVKPGD ILMINSNGNLVAPRGYFKLNTGKSSVMRSDVPIDICVSECITPNGSISNDKPFQNVNKVTYGKCPKYIRQNTLKLATGMR NVPEKQTR ; A ? 2 'polypeptide(L)' no no ;GIFGAIAGFIENGWEGMVDGWYGFRYQNSEGTGQAADLKSTQAAIDQINGKLNRVIERTNEKFHQIEKEFSEVEGRIQDL EKYVEDTKIDLWSYNAELLVALENQHTIDLTDAEMNKLFEKTRRQLRENAEDMGDGCFKIYHKCDNACIESIRTGTYDHY IYRDEALNNRFQSGR ; ;GIFGAIAGFIENGWEGMVDGWYGFRYQNSEGTGQAADLKSTQAAIDQINGKLNRVIERTNEKFHQIEKEFSEVEGRIQDL EKYVEDTKIDLWSYNAELLVALENQHTIDLTDAEMNKLFEKTRRQLRENAEDMGDGCFKIYHKCDNACIESIRTGTYDHY IYRDEALNNRFQSGR ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLN n 1 2 ASN n 1 3 PRO n 1 4 ILE n 1 5 SER n 1 6 GLY n 1 7 ASN n 1 8 ASN n 1 9 THR n 1 10 ALA n 1 11 THR n 1 12 LEU n 1 13 CYS n 1 14 LEU n 1 15 GLY n 1 16 HIS n 1 17 HIS n 1 18 ALA n 1 19 VAL n 1 20 ALA n 1 21 ASN n 1 22 GLY n 1 23 THR n 1 24 LEU n 1 25 VAL n 1 26 LYS n 1 27 THR n 1 28 MET n 1 29 SER n 1 30 ASP n 1 31 ASP n 1 32 GLN n 1 33 ILE n 1 34 GLU n 1 35 VAL n 1 36 THR n 1 37 ASN n 1 38 ALA n 1 39 THR n 1 40 GLU n 1 41 LEU n 1 42 VAL n 1 43 GLN n 1 44 SER n 1 45 ILE n 1 46 SER n 1 47 MET n 1 48 GLY n 1 49 LYS n 1 50 ILE n 1 51 CYS n 1 52 ASN n 1 53 LYS n 1 54 SER n 1 55 TYR n 1 56 ARG n 1 57 ILE n 1 58 LEU n 1 59 ASP n 1 60 GLY n 1 61 ARG n 1 62 ASN n 1 63 CYS n 1 64 THR n 1 65 LEU n 1 66 ILE n 1 67 ASP n 1 68 ALA n 1 69 MET n 1 70 LEU n 1 71 GLY n 1 72 ASP n 1 73 PRO n 1 74 HIS n 1 75 CYS n 1 76 ASP n 1 77 ALA n 1 78 PHE n 1 79 GLN n 1 80 TYR n 1 81 GLU n 1 82 SER n 1 83 TRP n 1 84 ASP n 1 85 LEU n 1 86 PHE n 1 87 ILE n 1 88 GLU n 1 89 ARG n 1 90 SER n 1 91 ASN n 1 92 ALA n 1 93 PHE n 1 94 SER n 1 95 ASN n 1 96 CYS n 1 97 TYR n 1 98 PRO n 1 99 TYR n 1 100 ASP n 1 101 ILE n 1 102 PRO n 1 103 ASP n 1 104 TYR n 1 105 ALA n 1 106 SER n 1 107 LEU n 1 108 ARG n 1 109 SER n 1 110 ILE n 1 111 VAL n 1 112 ALA n 1 113 SER n 1 114 SER n 1 115 GLY n 1 116 THR n 1 117 VAL n 1 118 GLU n 1 119 PHE n 1 120 THR n 1 121 ALA n 1 122 GLU n 1 123 GLY n 1 124 PHE n 1 125 THR n 1 126 TRP n 1 127 THR n 1 128 GLY n 1 129 VAL n 1 130 THR n 1 131 GLN n 1 132 ASN n 1 133 GLY n 1 134 ARG n 1 135 SER n 1 136 GLY n 1 137 ALA n 1 138 CYS n 1 139 LYS n 1 140 ARG n 1 141 GLY n 1 142 SER n 1 143 ALA n 1 144 ASP n 1 145 SER n 1 146 PHE n 1 147 PHE n 1 148 SER n 1 149 ARG n 1 150 LEU n 1 151 ASN n 1 152 TRP n 1 153 LEU n 1 154 THR n 1 155 LYS n 1 156 SER n 1 157 GLY n 1 158 SER n 1 159 SER n 1 160 TYR n 1 161 PRO n 1 162 THR n 1 163 LEU n 1 164 ASN n 1 165 VAL n 1 166 THR n 1 167 MET n 1 168 PRO n 1 169 ASN n 1 170 ASN n 1 171 LYS n 1 172 ASN n 1 173 PHE n 1 174 ASP n 1 175 LYS n 1 176 LEU n 1 177 TYR n 1 178 ILE n 1 179 TRP n 1 180 GLY n 1 181 ILE n 1 182 HIS n 1 183 HIS n 1 184 PRO n 1 185 SER n 1 186 SER n 1 187 ASN n 1 188 GLN n 1 189 GLU n 1 190 GLN n 1 191 THR n 1 192 LYS n 1 193 LEU n 1 194 TYR n 1 195 ILE n 1 196 GLN n 1 197 GLU n 1 198 SER n 1 199 GLY n 1 200 ARG n 1 201 VAL n 1 202 THR n 1 203 VAL n 1 204 SER n 1 205 THR n 1 206 LYS n 1 207 ARG n 1 208 SER n 1 209 GLN n 1 210 GLN n 1 211 THR n 1 212 ILE n 1 213 ILE n 1 214 PRO n 1 215 ASN n 1 216 ILE n 1 217 GLY n 1 218 SER n 1 219 ARG n 1 220 PRO n 1 221 LEU n 1 222 VAL n 1 223 ARG n 1 224 GLY n 1 225 GLN n 1 226 SER n 1 227 GLY n 1 228 ARG n 1 229 ILE n 1 230 SER n 1 231 ILE n 1 232 TYR n 1 233 TRP n 1 234 THR n 1 235 ILE n 1 236 VAL n 1 237 LYS n 1 238 PRO n 1 239 GLY n 1 240 ASP n 1 241 ILE n 1 242 LEU n 1 243 MET n 1 244 ILE n 1 245 ASN n 1 246 SER n 1 247 ASN n 1 248 GLY n 1 249 ASN n 1 250 LEU n 1 251 VAL n 1 252 ALA n 1 253 PRO n 1 254 ARG n 1 255 GLY n 1 256 TYR n 1 257 PHE n 1 258 LYS n 1 259 LEU n 1 260 ASN n 1 261 THR n 1 262 GLY n 1 263 LYS n 1 264 SER n 1 265 SER n 1 266 VAL n 1 267 MET n 1 268 ARG n 1 269 SER n 1 270 ASP n 1 271 VAL n 1 272 PRO n 1 273 ILE n 1 274 ASP n 1 275 ILE n 1 276 CYS n 1 277 VAL n 1 278 SER n 1 279 GLU n 1 280 CYS n 1 281 ILE n 1 282 THR n 1 283 PRO n 1 284 ASN n 1 285 GLY n 1 286 SER n 1 287 ILE n 1 288 SER n 1 289 ASN n 1 290 ASP n 1 291 LYS n 1 292 PRO n 1 293 PHE n 1 294 GLN n 1 295 ASN n 1 296 VAL n 1 297 ASN n 1 298 LYS n 1 299 VAL n 1 300 THR n 1 301 TYR n 1 302 GLY n 1 303 LYS n 1 304 CYS n 1 305 PRO n 1 306 LYS n 1 307 TYR n 1 308 ILE n 1 309 ARG n 1 310 GLN n 1 311 ASN n 1 312 THR n 1 313 LEU n 1 314 LYS n 1 315 LEU n 1 316 ALA n 1 317 THR n 1 318 GLY n 1 319 MET n 1 320 ARG n 1 321 ASN n 1 322 VAL n 1 323 PRO n 1 324 GLU n 1 325 LYS n 1 326 GLN n 1 327 THR n 1 328 ARG n 2 1 GLY n 2 2 ILE n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 ASN n 2 13 GLY n 2 14 TRP n 2 15 GLU n 2 16 GLY n 2 17 MET n 2 18 VAL n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 PHE n 2 25 ARG n 2 26 TYR n 2 27 GLN n 2 28 ASN n 2 29 SER n 2 30 GLU n 2 31 GLY n 2 32 THR n 2 33 GLY n 2 34 GLN n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 LEU n 2 39 LYS n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 ALA n 2 44 ALA n 2 45 ILE n 2 46 ASP n 2 47 GLN n 2 48 ILE n 2 49 ASN n 2 50 GLY n 2 51 LYS n 2 52 LEU n 2 53 ASN n 2 54 ARG n 2 55 VAL n 2 56 ILE n 2 57 GLU n 2 58 ARG n 2 59 THR n 2 60 ASN n 2 61 GLU n 2 62 LYS n 2 63 PHE n 2 64 HIS n 2 65 GLN n 2 66 ILE n 2 67 GLU n 2 68 LYS n 2 69 GLU n 2 70 PHE n 2 71 SER n 2 72 GLU n 2 73 VAL n 2 74 GLU n 2 75 GLY n 2 76 ARG n 2 77 ILE n 2 78 GLN n 2 79 ASP n 2 80 LEU n 2 81 GLU n 2 82 LYS n 2 83 TYR n 2 84 VAL n 2 85 GLU n 2 86 ASP n 2 87 THR n 2 88 LYS n 2 89 ILE n 2 90 ASP n 2 91 LEU n 2 92 TRP n 2 93 SER n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 ALA n 2 102 LEU n 2 103 GLU n 2 104 ASN n 2 105 GLN n 2 106 HIS n 2 107 THR n 2 108 ILE n 2 109 ASP n 2 110 LEU n 2 111 THR n 2 112 ASP n 2 113 ALA n 2 114 GLU n 2 115 MET n 2 116 ASN n 2 117 LYS n 2 118 LEU n 2 119 PHE n 2 120 GLU n 2 121 LYS n 2 122 THR n 2 123 ARG n 2 124 ARG n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 GLU n 2 129 ASN n 2 130 ALA n 2 131 GLU n 2 132 ASP n 2 133 MET n 2 134 GLY n 2 135 ASP n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 LYS n 2 140 ILE n 2 141 TYR n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASN n 2 147 ALA n 2 148 CYS n 2 149 ILE n 2 150 GLU n 2 151 SER n 2 152 ILE n 2 153 ARG n 2 154 THR n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 HIS n 2 160 TYR n 2 161 ILE n 2 162 TYR n 2 163 ARG n 2 164 ASP n 2 165 GLU n 2 166 ALA n 2 167 LEU n 2 168 ASN n 2 169 ASN n 2 170 ARG n 2 171 PHE n 2 172 GLN n 2 173 SER n 2 174 GLY n 2 175 ARG n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? ? ? ? ? 'A/CANINE/COLORADO/17864/2006(H3N8)' ? ? ? ? 'INFLUENZA A VIRUS' 11320 ? ? ? ? ? ? ? 'FALL ARMYWORM' 'SPODOPTERA FRUGIPERDA' 7108 ? ? ? ? ? ? ? ? SF9 ? ? ? ? ? BACULOVIRUS ? ? ? 'PACGP67 DERIVATIVE' ? 'DR. EDWARD J. DUBOVI AND DR. COLIN PARRISH, CORNELL UNIVERSITY, ITHACA, NY, USA' 2 1 sample ? ? ? ? ? ? ? 'A/CANINE/COLORADO/17864/2006(H3N8)' ? ? ? ? 'INFLUENZA A VIRUS' 11320 ? ? ? ? ? ? ? 'FALL ARMYWORM' 'SPODOPTERA FRUGIPERDA' 7108 ? ? ? ? ? ? ? ? SF9 ? ? ? ? ? BACULOVIRUS ? ? ? 'PACGP67 DERIVATIVE' ? 'DR. EDWARD J. DUBOVI AND DR. COLIN PARRISH, CORNELL UNIVERSITY, ITHACA, NY, USA' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform 1 UNP E0UVR5_9INFA 1 ? ? E0UVR5 ? 2 UNP E0UVR5_9INFA 2 ? ? E0UVR5 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4UO4 A 1 ? 328 ? E0UVR5 17 ? 344 ? 2 329 2 2 4UO4 B 1 ? 172 ? E0UVR5 345 ? 516 ? 1 172 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 2 4UO4 SER B 173 ? UNP E0UVR5 ? ? 'expression tag' 173 1 2 4UO4 GLY B 174 ? UNP E0UVR5 ? ? 'expression tag' 174 2 2 4UO4 ARG B 175 ? UNP E0UVR5 ? ? 'expression tag' 175 3 2 4UO4 GLU B 131 ? UNP E0UVR5 ASP 475 conflict 131 4 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4UO4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.18 _exptl_crystal.density_percent_sol 70.59 _exptl_crystal.description NONE # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector PIXEL _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97950 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'DIAMOND BEAMLINE I04' _diffrn_source.pdbx_synchrotron_site Diamond _diffrn_source.pdbx_synchrotron_beamline I04 _diffrn_source.pdbx_wavelength 0.97950 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4UO4 _reflns.observed_criterion_sigma_I 2.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 48.20 _reflns.d_resolution_high 2.60 _reflns.number_obs 30387 _reflns.number_all ? _reflns.percent_possible_obs 99.6 _reflns.pdbx_Rmerge_I_obs 0.06 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 17.10 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.2 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.60 _reflns_shell.d_res_low 2.74 _reflns_shell.percent_possible_all 99.2 _reflns_shell.Rmerge_I_obs 0.66 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.00 _reflns_shell.pdbx_redundancy 5.2 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4UO4 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 28820 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 173.56 _refine.ls_d_res_high 2.60 _refine.ls_percent_reflns_obs 99.32 _refine.ls_R_factor_obs 0.20073 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.19853 _refine.ls_R_factor_R_free 0.24371 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 1529 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.955 _refine.correlation_coeff_Fo_to_Fc_free 0.928 _refine.B_iso_mean 74.108 _refine.aniso_B[1][1] 2.12 _refine.aniso_B[2][2] 2.12 _refine.aniso_B[3][3] -6.88 _refine.aniso_B[1][2] 1.06 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.U VALUES WITH TLS ADDED' _refine.pdbx_starting_model 'PDB ENTRY 4UO0' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.302 _refine.pdbx_overall_ESU_R_Free 0.244 _refine.overall_SU_ML 0.208 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 22.657 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3889 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 191 _refine_hist.number_atoms_solvent 18 _refine_hist.number_atoms_total 4098 _refine_hist.d_res_high 2.60 _refine_hist.d_res_low 173.56 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.011 0.019 ? 4174 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 3801 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.655 1.992 ? 5670 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.963 3.000 ? 8708 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.870 5.000 ? 492 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 38.250 24.569 ? 197 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 18.156 15.000 ? 681 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 18.005 15.000 ? 26 'X-RAY DIFFRACTION' ? r_chiral_restr 0.145 0.200 ? 649 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.005 0.020 ? 4651 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 957 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 2.989 5.446 ? 1974 'X-RAY DIFFRACTION' ? r_mcbond_other 2.990 5.446 ? 1973 'X-RAY DIFFRACTION' ? r_mcangle_it 4.482 8.170 ? 2464 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it 4.099 6.128 ? 2200 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.600 _refine_ls_shell.d_res_low 2.668 _refine_ls_shell.number_reflns_R_work 2066 _refine_ls_shell.R_factor_R_work 0.363 _refine_ls_shell.percent_reflns_obs 98.45 _refine_ls_shell.R_factor_R_free 0.337 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 97 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 4UO4 _struct.title 'Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin' _struct.pdbx_descriptor 'H3 HAEMAGGLUTININ HA1 CHAIN, H3 HAEMAGGLUTININ HA2 CHAIN' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4UO4 _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' _struct_keywords.text 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 3 ? H N N 3 ? I N N 3 ? J N N 4 ? K N N 5 ? L N N 3 ? M N N 3 ? N N N 4 ? O N N 5 ? P N N 5 ? Q N N 6 ? R N N 6 ? S N N 7 ? T N N 7 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 THR A 64 ? GLY A 71 ? THR A 65 GLY A 72 1 ? 8 HELX_P HELX_P2 2 ASP A 72 ? GLN A 79 ? ASP A 73 GLN A 80 5 ? 8 HELX_P HELX_P3 3 ASP A 103 ? GLY A 115 ? ASP A 104 GLY A 116 1 ? 13 HELX_P HELX_P4 4 SER A 186 ? TYR A 194 ? SER A 187 TYR A 195 1 ? 9 HELX_P HELX_P5 5 ASP B 37 ? ASN B 49 ? ASP B 37 ASN B 49 1 ? 13 HELX_P HELX_P6 6 LYS B 51 ? VAL B 55 ? LYS B 51 VAL B 55 5 ? 5 HELX_P HELX_P7 7 GLY B 75 ? ARG B 127 ? GLY B 75 ARG B 127 1 ? 53 HELX_P HELX_P8 8 ASP B 145 ? THR B 154 ? ASP B 145 THR B 154 1 ? 10 HELX_P HELX_P9 9 ASP B 158 ? PHE B 171 ? ASP B 158 PHE B 171 1 ? 14 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 13 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 14 B CYS 137 1_555 ? ? ? ? ? ? ? 2.092 ? disulf2 disulf ? ? A CYS 51 SG ? ? ? 1_555 A CYS 276 SG ? ? A CYS 52 A CYS 277 1_555 ? ? ? ? ? ? ? 2.093 ? disulf3 disulf ? ? A CYS 63 SG ? ? ? 1_555 A CYS 75 SG ? ? A CYS 64 A CYS 76 1_555 ? ? ? ? ? ? ? 2.116 ? disulf4 disulf ? ? A CYS 96 SG ? ? ? 1_555 A CYS 138 SG ? ? A CYS 97 A CYS 139 1_555 ? ? ? ? ? ? ? 2.071 ? disulf5 disulf ? ? A CYS 280 SG ? ? ? 1_555 A CYS 304 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.081 ? disulf6 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 144 B CYS 148 1_555 ? ? ? ? ? ? ? 2.102 ? covale1 covale ? ? A ASN 21 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 22 A NAG 601 1_555 ? ? ? ? ? ? ? 1.469 ? covale2 covale ? ? A ASN 37 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 38 A NAG 621 1_555 ? ? ? ? ? ? ? 1.441 ? covale3 covale ? ? A ASN 62 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 63 A NAG 611 1_555 ? ? ? ? ? ? ? 1.457 ? covale4 covale ? ? A ASN 164 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 165 A NAG 631 1_555 ? ? ? ? ? ? ? 1.443 ? covale5 covale ? ? A ASN 284 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 285 A NAG 641 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 611 A NAG 612 1_555 ? ? ? ? ? ? ? 1.442 ? covale7 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 621 A NAG 622 1_555 ? ? ? ? ? ? ? 1.460 ? covale8 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 631 A NAG 632 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale ? ? I NAG . O4 ? ? ? 1_555 J BMA . C1 ? ? A NAG 632 A BMA 633 1_555 ? ? ? ? ? ? ? 1.444 ? covale10 covale ? ? J BMA . O6 ? ? ? 1_555 K MAN . C1 ? ? A BMA 633 A MAN 637 1_555 ? ? ? ? ? ? ? 1.449 ? covale11 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 641 A NAG 642 1_555 ? ? ? ? ? ? ? 1.422 ? covale12 covale ? ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? A NAG 642 A BMA 643 1_555 ? ? ? ? ? ? ? 1.441 ? covale13 covale ? ? N BMA . O3 ? ? ? 1_555 O MAN . C1 ? ? A BMA 643 A MAN 644 1_555 ? ? ? ? ? ? ? 1.452 ? covale14 covale ? ? O MAN . O3 ? ? ? 1_555 P MAN . C1 ? ? A MAN 644 A MAN 645 1_555 ? ? ? ? ? ? ? 1.430 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id LYS _struct_mon_prot_cis.label_seq_id 53 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id LYS _struct_mon_prot_cis.auth_seq_id 54 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 SER _struct_mon_prot_cis.pdbx_label_seq_id_2 54 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 SER _struct_mon_prot_cis.pdbx_auth_seq_id_2 55 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 15.00 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details BA ? 5 ? AA ? 2 ? AB ? 2 ? AC ? 3 ? AD ? 2 ? AE ? 3 ? AF ? 5 ? AG ? 5 ? AH ? 2 ? AI ? 2 ? AJ ? 4 ? AK ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense BA 1 2 ? anti-parallel BA 2 3 ? anti-parallel BA 3 4 ? anti-parallel BA 4 5 ? anti-parallel AA 1 2 ? anti-parallel AB 1 2 ? anti-parallel AC 1 2 ? parallel AC 2 3 ? parallel AD 1 2 ? parallel AE 1 2 ? parallel AE 2 3 ? parallel AF 1 2 ? parallel AF 2 3 ? anti-parallel AF 3 4 ? anti-parallel AF 4 5 ? anti-parallel AG 1 2 ? parallel AG 2 3 ? anti-parallel AG 3 4 ? anti-parallel AG 4 5 ? anti-parallel AH 1 2 ? anti-parallel AI 1 2 ? anti-parallel AJ 1 2 ? anti-parallel AJ 2 3 ? anti-parallel AJ 3 4 ? anti-parallel AK 1 2 ? anti-parallel AK 2 3 ? anti-parallel AK 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id BA 1 GLY B 31 ? ALA B 36 ? GLY B 31 ALA B 36 BA 2 TYR B 22 ? ASN B 28 ? TYR B 22 ASN B 28 BA 3 ALA A 10 ? HIS A 16 ? ALA A 11 HIS A 17 BA 4 CYS B 137 ? ILE B 140 ? CYS B 137 ILE B 140 BA 5 ALA B 130 ? ASP B 132 ? ALA B 130 ASP B 132 AA 1 THR A 23 ? VAL A 25 ? THR A 24 VAL A 26 AA 2 ILE A 33 ? VAL A 35 ? ILE A 34 VAL A 36 AB 1 ALA A 38 ? GLU A 40 ? ALA A 39 GLU A 41 AB 2 LYS A 314 ? ALA A 316 ? LYS A 315 ALA A 317 AC 1 VAL A 42 ? GLN A 43 ? VAL A 43 GLN A 44 AC 2 PHE A 293 ? GLN A 294 ? PHE A 294 GLN A 295 AC 3 LYS A 306 ? TYR A 307 ? LYS A 307 TYR A 308 AD 1 ILE A 50 ? LYS A 53 ? ILE A 51 LYS A 54 AD 2 ILE A 273 ? VAL A 277 ? ILE A 274 VAL A 278 AE 1 ILE A 57 ? ASP A 59 ? ILE A 58 ASP A 60 AE 2 LEU A 85 ? GLU A 88 ? LEU A 86 GLU A 89 AE 3 SER A 265 ? ARG A 268 ? SER A 266 ARG A 269 AF 1 TYR A 99 ? ASP A 100 ? TYR A 100 ASP A 101 AF 2 ARG A 228 ? VAL A 236 ? ARG A 229 VAL A 237 AF 3 LYS A 175 ? HIS A 183 ? LYS A 176 HIS A 184 AF 4 LEU A 250 ? PRO A 253 ? LEU A 251 PRO A 254 AF 5 LEU A 150 ? TRP A 152 ? LEU A 151 TRP A 153 AG 1 TYR A 99 ? ASP A 100 ? TYR A 100 ASP A 101 AG 2 ARG A 228 ? VAL A 236 ? ARG A 229 VAL A 237 AG 3 LYS A 175 ? HIS A 183 ? LYS A 176 HIS A 184 AG 4 GLY A 255 ? LYS A 258 ? GLY A 256 LYS A 259 AG 5 PHE A 119 ? ALA A 121 ? PHE A 120 ALA A 122 AH 1 VAL A 129 ? THR A 130 ? VAL A 130 THR A 131 AH 2 THR A 154 ? LYS A 155 ? THR A 155 LYS A 156 AI 1 SER A 135 ? ARG A 140 ? SER A 136 ARG A 141 AI 2 ALA A 143 ? SER A 145 ? ALA A 144 SER A 146 AJ 1 LEU A 163 ? PRO A 168 ? LEU A 164 PRO A 169 AJ 2 ILE A 241 ? GLY A 248 ? ILE A 242 GLY A 249 AJ 3 ARG A 200 ? SER A 204 ? ARG A 201 SER A 205 AJ 4 GLN A 209 ? ILE A 212 ? GLN A 210 ILE A 213 AK 1 GLY A 285 ? SER A 286 ? GLY A 286 SER A 287 AK 2 CYS A 280 ? THR A 282 ? CYS A 281 THR A 283 AK 3 TYR A 301 ? LYS A 303 ? TYR A 302 LYS A 304 AK 4 GLU B 61 ? LYS B 62 ? GLU B 61 LYS B 62 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id BA 1 2 N ALA B 35 ? N ALA B 35 O PHE B 24 ? O PHE B 24 BA 2 3 N GLN B 27 ? N GLN B 27 O THR A 11 ? O THR A 12 BA 3 4 N LEU A 12 ? N LEU A 13 O PHE B 138 ? O PHE B 138 BA 4 5 N LYS B 139 ? N LYS B 139 O GLU B 131 ? O GLU B 131 AA 1 2 N VAL A 25 ? N VAL A 26 O ILE A 33 ? O ILE A 34 AB 1 2 N THR A 39 ? N THR A 40 O LEU A 315 ? O LEU A 316 AC 1 2 N GLN A 43 ? N GLN A 44 O PHE A 293 ? O PHE A 294 AC 2 3 N GLN A 294 ? N GLN A 295 O LYS A 306 ? O LYS A 307 AD 1 2 N ASN A 52 ? N ASN A 53 O ASP A 274 ? O ASP A 275 AE 1 2 N LEU A 58 ? N LEU A 59 O LEU A 85 ? O LEU A 86 AE 2 3 N PHE A 86 ? N PHE A 87 O SER A 265 ? O SER A 266 AF 1 2 N ASP A 100 ? N ASP A 101 O ILE A 229 ? O ILE A 230 AF 2 3 N VAL A 236 ? N VAL A 237 O LYS A 175 ? O LYS A 176 AF 3 4 N GLY A 180 ? N GLY A 181 O VAL A 251 ? O VAL A 252 AF 4 5 N ALA A 252 ? N ALA A 253 O ASN A 151 ? O ASN A 152 AG 1 2 N ASP A 100 ? N ASP A 101 O ILE A 229 ? O ILE A 230 AG 2 3 N VAL A 236 ? N VAL A 237 O LYS A 175 ? O LYS A 176 AG 3 4 N LEU A 176 ? N LEU A 177 O PHE A 257 ? O PHE A 258 AG 4 5 N TYR A 256 ? N TYR A 257 O THR A 120 ? O THR A 121 AH 1 2 N THR A 130 ? N THR A 131 O THR A 154 ? O THR A 155 AI 1 2 N ARG A 140 ? N ARG A 141 O ALA A 143 ? O ALA A 144 AJ 1 2 N MET A 167 ? N MET A 168 O LEU A 242 ? O LEU A 243 AJ 2 3 N ASN A 247 ? N ASN A 248 O ARG A 200 ? O ARG A 201 AJ 3 4 N VAL A 203 ? N VAL A 204 O GLN A 210 ? O GLN A 211 AK 1 2 N GLY A 285 ? N GLY A 286 O THR A 282 ? O THR A 283 AK 2 3 N ILE A 281 ? N ILE A 282 O TYR A 301 ? O TYR A 302 AK 3 4 N GLY A 302 ? N GLY A 303 O LYS B 62 ? O LYS B 62 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 B 1176' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE SO4 A 1327' AC3 Software ? ? ? ? 1 'Binding site for Mono-Saccharide NAG A 601 bound to ASN A 22' AC4 Software ? ? ? ? 2 'Binding site for Poly-Saccharide residues NAG A 621 through NAG A 622 bound to ASN A 38' AC5 Software ? ? ? ? 2 'Binding site for Poly-Saccharide residues NAG A 611 through NAG A 612 bound to ASN A 63' AC6 Software ? ? ? ? 5 'Binding site for Poly-Saccharide residues NAG A 631 through MAN A 637 bound to ASN A 165' AC7 Software ? ? ? ? 8 'Binding site for Poly-Saccharide residues NAG A 641 through MAN A 645 bound to ASN A 285' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 TRP B 14 ? TRP B 14 . ? 1_555 ? 2 AC1 4 GLU B 15 ? GLU B 15 . ? 1_555 ? 3 AC1 4 GLY B 16 ? GLY B 16 . ? 1_555 ? 4 AC1 4 ARG B 25 ? ARG B 25 . ? 1_555 ? 5 AC2 1 ARG A 320 ? ARG A 321 . ? 1_555 ? 6 AC3 1 ASN A 21 ? ASN A 22 . ? 1_555 ? 7 AC4 2 ASN A 37 ? ASN A 38 . ? 1_555 ? 8 AC4 2 THR A 317 ? THR A 318 . ? 1_555 ? 9 AC5 2 ARG A 61 ? ARG A 62 . ? 1_555 ? 10 AC5 2 ASN A 62 ? ASN A 63 . ? 1_555 ? 11 AC6 5 ASN A 164 ? ASN A 165 . ? 1_555 ? 12 AC6 5 THR A 166 ? THR A 167 . ? 1_555 ? 13 AC6 5 SER A 218 ? SER A 219 . ? 2_545 ? 14 AC6 5 PRO A 220 ? PRO A 221 . ? 2_545 ? 15 AC6 5 LEU A 221 ? LEU A 222 . ? 2_545 ? 16 AC7 8 ASN A 172 ? ASN A 173 . ? 7_655 ? 17 AC7 8 ASP A 174 ? ASP A 175 . ? 7_655 ? 18 AC7 8 LYS A 237 ? LYS A 238 . ? 7_655 ? 19 AC7 8 ASN A 284 ? ASN A 285 . ? 1_555 ? 20 AC7 8 VAL A 296 ? VAL A 297 . ? 1_555 ? 21 AC7 8 ASN A 297 ? ASN A 298 . ? 1_555 ? 22 AC7 8 GLU B 69 ? GLU B 69 . ? 1_555 ? 23 AC7 8 SER B 71 ? SER B 71 . ? 8_555 ? # _database_PDB_matrix.entry_id 4UO4 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4UO4 _atom_sites.fract_transf_matrix[1][1] 0.010373 _atom_sites.fract_transf_matrix[1][2] 0.005989 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011978 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.002881 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASN A 1 7 ? 29.708 -12.562 -77.514 1.00 135.67 ? 8 ASN A N 1 ATOM 2 C CA . ASN A 1 7 ? 30.854 -13.396 -77.981 1.00 131.78 ? 8 ASN A CA 1 ATOM 3 C C . ASN A 1 7 ? 30.594 -14.908 -77.793 1.00 128.30 ? 8 ASN A C 1 ATOM 4 O O . ASN A 1 7 ? 29.850 -15.318 -76.869 1.00 117.82 ? 8 ASN A O 1 ATOM 5 C CB . ASN A 1 7 ? 32.139 -12.976 -77.234 1.00 124.62 ? 8 ASN A CB 1 ATOM 6 C CG . ASN A 1 7 ? 33.415 -13.231 -78.038 1.00 118.41 ? 8 ASN A CG 1 ATOM 7 O OD1 . ASN A 1 7 ? 33.385 -13.536 -79.230 1.00 119.30 ? 8 ASN A OD1 1 ATOM 8 N ND2 . ASN A 1 7 ? 34.544 -13.083 -77.378 1.00 113.23 ? 8 ASN A ND2 1 ATOM 9 N N . ASN A 1 8 ? 31.222 -15.702 -78.677 1.00 121.30 ? 9 ASN A N 1 ATOM 10 C CA . ASN A 1 8 ? 31.286 -17.183 -78.596 1.00 116.18 ? 9 ASN A CA 1 ATOM 11 C C . ASN A 1 8 ? 32.474 -17.782 -77.741 1.00 113.94 ? 9 ASN A C 1 ATOM 12 O O . ASN A 1 8 ? 33.112 -18.780 -78.112 1.00 111.67 ? 9 ASN A O 1 ATOM 13 C CB . ASN A 1 8 ? 31.352 -17.750 -80.007 1.00 114.01 ? 9 ASN A CB 1 ATOM 14 C CG . ASN A 1 8 ? 32.677 -17.435 -80.685 1.00 113.14 ? 9 ASN A CG 1 ATOM 15 O OD1 . ASN A 1 8 ? 33.648 -17.033 -80.021 1.00 110.17 ? 9 ASN A OD1 1 ATOM 16 N ND2 . ASN A 1 8 ? 32.728 -17.596 -82.000 1.00 107.65 ? 9 ASN A ND2 1 ATOM 17 N N . THR A 1 9 ? 32.780 -17.155 -76.610 1.00 108.04 ? 10 THR A N 1 ATOM 18 C CA . THR A 1 9 ? 33.563 -17.794 -75.564 1.00 101.55 ? 10 THR A CA 1 ATOM 19 C C . THR A 1 9 ? 32.876 -17.435 -74.263 1.00 95.34 ? 10 THR A C 1 ATOM 20 O O . THR A 1 9 ? 31.762 -16.914 -74.277 1.00 93.07 ? 10 THR A O 1 ATOM 21 C CB . THR A 1 9 ? 35.039 -17.344 -75.550 1.00 100.96 ? 10 THR A CB 1 ATOM 22 O OG1 . THR A 1 9 ? 35.116 -15.961 -75.208 1.00 99.35 ? 10 THR A OG1 1 ATOM 23 C CG2 . THR A 1 9 ? 35.698 -17.598 -76.908 1.00 103.64 ? 10 THR A CG2 1 ATOM 24 N N . ALA A 1 10 ? 33.519 -17.735 -73.143 1.00 91.00 ? 11 ALA A N 1 ATOM 25 C CA . ALA A 1 10 ? 32.955 -17.417 -71.825 1.00 89.17 ? 11 ALA A CA 1 ATOM 26 C C . ALA A 1 10 ? 34.043 -17.321 -70.778 1.00 86.08 ? 11 ALA A C 1 ATOM 27 O O . ALA A 1 10 ? 35.093 -17.960 -70.916 1.00 83.69 ? 11 ALA A O 1 ATOM 28 C CB . ALA A 1 10 ? 31.925 -18.462 -71.402 1.00 87.92 ? 11 ALA A CB 1 ATOM 29 N N . THR A 1 11 ? 33.791 -16.518 -69.741 1.00 85.08 ? 12 THR A N 1 ATOM 30 C CA . THR A 1 11 ? 34.655 -16.499 -68.565 1.00 85.63 ? 12 THR A CA 1 ATOM 31 C C . THR A 1 11 ? 33.864 -16.939 -67.328 1.00 85.16 ? 12 THR A C 1 ATOM 32 O O . THR A 1 11 ? 32.743 -16.480 -67.087 1.00 86.22 ? 12 THR A O 1 ATOM 33 C CB . THR A 1 11 ? 35.310 -15.124 -68.315 1.00 85.49 ? 12 THR A CB 1 ATOM 34 O OG1 . THR A 1 11 ? 34.339 -14.230 -67.783 1.00 91.55 ? 12 THR A OG1 1 ATOM 35 C CG2 . THR A 1 11 ? 35.899 -14.534 -69.599 1.00 86.34 ? 12 THR A CG2 1 ATOM 36 N N . LEU A 1 12 ? 34.463 -17.849 -66.567 1.00 83.26 ? 13 LEU A N 1 ATOM 37 C CA . LEU A 1 12 ? 33.873 -18.385 -65.361 1.00 80.79 ? 13 LEU A CA 1 ATOM 38 C C . LEU A 1 12 ? 34.832 -18.097 -64.219 1.00 79.31 ? 13 LEU A C 1 ATOM 39 O O . LEU A 1 12 ? 35.961 -18.574 -64.216 1.00 76.77 ? 13 LEU A O 1 ATOM 40 C CB . LEU A 1 12 ? 33.637 -19.888 -65.511 1.00 79.68 ? 13 LEU A CB 1 ATOM 41 C CG . LEU A 1 12 ? 33.142 -20.613 -64.261 1.00 79.11 ? 13 LEU A CG 1 ATOM 42 C CD1 . LEU A 1 12 ? 31.929 -19.897 -63.689 1.00 79.50 ? 13 LEU A CD1 1 ATOM 43 C CD2 . LEU A 1 12 ? 32.827 -22.075 -64.547 1.00 79.28 ? 13 LEU A CD2 1 ATOM 44 N N . CYS A 1 13 ? 34.378 -17.302 -63.260 1.00 80.27 ? 14 CYS A N 1 ATOM 45 C CA . CYS A 1 13 ? 35.232 -16.825 -62.191 1.00 80.87 ? 14 CYS A CA 1 ATOM 46 C C . CYS A 1 13 ? 34.859 -17.479 -60.898 1.00 77.07 ? 14 CYS A C 1 ATOM 47 O O . CYS A 1 13 ? 33.689 -17.722 -60.629 1.00 74.91 ? 14 CYS A O 1 ATOM 48 C CB . CYS A 1 13 ? 35.139 -15.306 -62.058 1.00 86.30 ? 14 CYS A CB 1 ATOM 49 S SG . CYS A 1 13 ? 35.940 -14.468 -63.445 1.00 99.63 ? 14 CYS A SG 1 ATOM 50 N N . LEU A 1 14 ? 35.873 -17.770 -60.099 1.00 75.11 ? 15 LEU A N 1 ATOM 51 C CA . LEU A 1 14 ? 35.661 -18.378 -58.818 1.00 73.08 ? 15 LEU A CA 1 ATOM 52 C C . LEU A 1 14 ? 35.916 -17.361 -57.749 1.00 70.39 ? 15 LEU A C 1 ATOM 53 O O . LEU A 1 14 ? 36.733 -16.466 -57.931 1.00 68.08 ? 15 LEU A O 1 ATOM 54 C CB . LEU A 1 14 ? 36.541 -19.608 -58.650 1.00 73.00 ? 15 LEU A CB 1 ATOM 55 C CG . LEU A 1 14 ? 35.733 -20.854 -59.013 1.00 75.24 ? 15 LEU A CG 1 ATOM 56 C CD1 . LEU A 1 14 ? 35.858 -21.148 -60.480 1.00 74.39 ? 15 LEU A CD1 1 ATOM 57 C CD2 . LEU A 1 14 ? 36.131 -22.056 -58.178 1.00 78.88 ? 15 LEU A CD2 1 ATOM 58 N N . GLY A 1 15 ? 35.177 -17.479 -56.651 1.00 69.79 ? 16 GLY A N 1 ATOM 59 C CA . GLY A 1 15 ? 35.313 -16.539 -55.555 1.00 69.75 ? 16 GLY A CA 1 ATOM 60 C C . GLY A 1 15 ? 34.670 -16.959 -54.254 1.00 68.42 ? 16 GLY A C 1 ATOM 61 O O . GLY A 1 15 ? 34.090 -18.043 -54.142 1.00 71.21 ? 16 GLY A O 1 ATOM 62 N N . HIS A 1 16 ? 34.807 -16.084 -53.264 1.00 66.57 ? 17 HIS A N 1 ATOM 63 C CA . HIS A 1 16 ? 34.273 -16.294 -51.928 1.00 66.57 ? 17 HIS A CA 1 ATOM 64 C C . HIS A 1 16 ? 33.671 -15.010 -51.404 1.00 67.24 ? 17 HIS A C 1 ATOM 65 O O . HIS A 1 16 ? 33.877 -13.944 -51.973 1.00 65.55 ? 17 HIS A O 1 ATOM 66 C CB . HIS A 1 16 ? 35.377 -16.705 -50.963 1.00 65.79 ? 17 HIS A CB 1 ATOM 67 C CG . HIS A 1 16 ? 36.509 -15.732 -50.894 1.00 64.39 ? 17 HIS A CG 1 ATOM 68 N ND1 . HIS A 1 16 ? 36.489 -14.648 -50.048 1.00 69.53 ? 17 HIS A ND1 1 ATOM 69 C CD2 . HIS A 1 16 ? 37.691 -15.675 -51.546 1.00 64.86 ? 17 HIS A CD2 1 ATOM 70 C CE1 . HIS A 1 16 ? 37.612 -13.965 -50.183 1.00 70.24 ? 17 HIS A CE1 1 ATOM 71 N NE2 . HIS A 1 16 ? 38.358 -14.567 -51.089 1.00 66.72 ? 17 HIS A NE2 1 ATOM 72 N N . HIS A 1 17 ? 32.970 -15.098 -50.285 1.00 66.69 ? 18 HIS A N 1 ATOM 73 C CA . HIS A 1 17 ? 32.325 -13.917 -49.782 1.00 69.16 ? 18 HIS A CA 1 ATOM 74 C C . HIS A 1 17 ? 33.234 -13.049 -48.955 1.00 66.91 ? 18 HIS A C 1 ATOM 75 O O . HIS A 1 17 ? 34.373 -13.402 -48.634 1.00 67.99 ? 18 HIS A O 1 ATOM 76 C CB . HIS A 1 17 ? 30.975 -14.223 -49.103 1.00 72.94 ? 18 HIS A CB 1 ATOM 77 C CG . HIS A 1 17 ? 31.058 -14.839 -47.744 1.00 74.00 ? 18 HIS A CG 1 ATOM 78 N ND1 . HIS A 1 17 ? 32.225 -15.325 -47.190 1.00 74.68 ? 18 HIS A ND1 1 ATOM 79 C CD2 . HIS A 1 17 ? 30.081 -15.095 -46.846 1.00 73.70 ? 18 HIS A CD2 1 ATOM 80 C CE1 . HIS A 1 17 ? 31.964 -15.827 -45.997 1.00 73.17 ? 18 HIS A CE1 1 ATOM 81 N NE2 . HIS A 1 17 ? 30.671 -15.701 -45.767 1.00 70.74 ? 18 HIS A NE2 1 ATOM 82 N N . ALA A 1 18 ? 32.722 -11.858 -48.700 1.00 70.92 ? 19 ALA A N 1 ATOM 83 C CA . ALA A 1 18 ? 33.342 -10.892 -47.813 1.00 72.81 ? 19 ALA A CA 1 ATOM 84 C C . ALA A 1 18 ? 32.229 -10.083 -47.146 1.00 71.02 ? 19 ALA A C 1 ATOM 85 O O . ALA A 1 18 ? 31.104 -10.013 -47.638 1.00 70.77 ? 19 ALA A O 1 ATOM 86 C CB . ALA A 1 18 ? 34.280 -9.984 -48.599 1.00 74.73 ? 19 ALA A CB 1 ATOM 87 N N . VAL A 1 19 ? 32.536 -9.469 -46.022 1.00 70.85 ? 20 VAL A N 1 ATOM 88 C CA . VAL A 1 19 ? 31.577 -8.573 -45.392 1.00 73.94 ? 20 VAL A CA 1 ATOM 89 C C . VAL A 1 19 ? 32.193 -7.188 -45.297 1.00 80.22 ? 20 VAL A C 1 ATOM 90 O O . VAL A 1 19 ? 33.405 -7.036 -45.457 1.00 75.95 ? 20 VAL A O 1 ATOM 91 C CB . VAL A 1 19 ? 31.177 -9.092 -44.019 1.00 70.32 ? 20 VAL A CB 1 ATOM 92 C CG1 . VAL A 1 19 ? 30.302 -10.328 -44.172 1.00 68.85 ? 20 VAL A CG1 1 ATOM 93 C CG2 . VAL A 1 19 ? 32.415 -9.416 -43.192 1.00 68.32 ? 20 VAL A CG2 1 ATOM 94 N N . ALA A 1 20 ? 31.360 -6.176 -45.066 1.00 89.19 ? 21 ALA A N 1 ATOM 95 C CA . ALA A 1 20 ? 31.855 -4.796 -44.962 1.00 90.79 ? 21 ALA A CA 1 ATOM 96 C C . ALA A 1 20 ? 32.659 -4.605 -43.671 1.00 90.66 ? 21 ALA A C 1 ATOM 97 O O . ALA A 1 20 ? 33.822 -4.200 -43.708 1.00 86.03 ? 21 ALA A O 1 ATOM 98 C CB . ALA A 1 20 ? 30.700 -3.804 -45.026 1.00 90.52 ? 21 ALA A CB 1 ATOM 99 N N . ASN A 1 21 ? 32.030 -4.913 -42.539 1.00 90.98 ? 22 ASN A N 1 ATOM 100 C CA . ASN A 1 21 ? 32.618 -4.654 -41.233 1.00 91.36 ? 22 ASN A CA 1 ATOM 101 C C . ASN A 1 21 ? 33.127 -5.982 -40.661 1.00 81.35 ? 22 ASN A C 1 ATOM 102 O O . ASN A 1 21 ? 32.401 -6.682 -39.971 1.00 82.78 ? 22 ASN A O 1 ATOM 103 C CB . ASN A 1 21 ? 31.600 -3.930 -40.296 1.00 96.71 ? 22 ASN A CB 1 ATOM 104 C CG . ASN A 1 21 ? 31.301 -2.470 -40.730 1.00 102.15 ? 22 ASN A CG 1 ATOM 105 O OD1 . ASN A 1 21 ? 32.056 -1.880 -41.512 1.00 95.32 ? 22 ASN A OD1 1 ATOM 106 N ND2 . ASN A 1 21 ? 30.187 -1.885 -40.207 1.00 106.79 ? 22 ASN A ND2 1 ATOM 107 N N . GLY A 1 22 ? 34.375 -6.319 -40.991 1.00 75.57 ? 23 GLY A N 1 ATOM 108 C CA . GLY A 1 22 ? 35.042 -7.543 -40.528 1.00 70.92 ? 23 GLY A CA 1 ATOM 109 C C . GLY A 1 22 ? 35.654 -7.393 -39.146 1.00 67.78 ? 23 GLY A C 1 ATOM 110 O O . GLY A 1 22 ? 35.369 -6.424 -38.464 1.00 64.89 ? 23 GLY A O 1 ATOM 111 N N . THR A 1 23 ? 36.503 -8.337 -38.741 1.00 64.66 ? 24 THR A N 1 ATOM 112 C CA . THR A 1 23 ? 37.007 -8.361 -37.377 1.00 66.71 ? 24 THR A CA 1 ATOM 113 C C . THR A 1 23 ? 38.323 -9.150 -37.167 1.00 65.56 ? 24 THR A C 1 ATOM 114 O O . THR A 1 23 ? 38.589 -10.163 -37.810 1.00 63.79 ? 24 THR A O 1 ATOM 115 C CB . THR A 1 23 ? 35.899 -8.854 -36.413 1.00 70.10 ? 24 THR A CB 1 ATOM 116 O OG1 . THR A 1 23 ? 36.091 -8.263 -35.127 1.00 76.33 ? 24 THR A OG1 1 ATOM 117 C CG2 . THR A 1 23 ? 35.858 -10.363 -36.287 1.00 68.66 ? 24 THR A CG2 1 ATOM 118 N N . LEU A 1 24 ? 39.134 -8.670 -36.232 1.00 64.93 ? 25 LEU A N 1 ATOM 119 C CA . LEU A 1 24 ? 40.517 -9.111 -36.095 1.00 64.67 ? 25 LEU A CA 1 ATOM 120 C C . LEU A 1 24 ? 40.698 -10.255 -35.106 1.00 59.90 ? 25 LEU A C 1 ATOM 121 O O . LEU A 1 24 ? 40.147 -10.220 -34.017 1.00 59.83 ? 25 LEU A O 1 ATOM 122 C CB . LEU A 1 24 ? 41.384 -7.928 -35.667 1.00 68.57 ? 25 LEU A CB 1 ATOM 123 C CG . LEU A 1 24 ? 42.130 -7.109 -36.733 1.00 73.91 ? 25 LEU A CG 1 ATOM 124 C CD1 . LEU A 1 24 ? 41.525 -7.228 -38.123 1.00 76.05 ? 25 LEU A CD1 1 ATOM 125 C CD2 . LEU A 1 24 ? 42.220 -5.649 -36.296 1.00 75.19 ? 25 LEU A CD2 1 ATOM 126 N N . VAL A 1 25 ? 41.478 -11.261 -35.503 1.00 58.23 ? 26 VAL A N 1 ATOM 127 C CA . VAL A 1 25 ? 41.822 -12.397 -34.643 1.00 56.08 ? 26 VAL A CA 1 ATOM 128 C C . VAL A 1 25 ? 43.286 -12.743 -34.775 1.00 56.84 ? 26 VAL A C 1 ATOM 129 O O . VAL A 1 25 ? 43.978 -12.254 -35.653 1.00 63.45 ? 26 VAL A O 1 ATOM 130 C CB . VAL A 1 25 ? 41.018 -13.672 -34.988 1.00 54.40 ? 26 VAL A CB 1 ATOM 131 C CG1 . VAL A 1 25 ? 39.525 -13.389 -34.997 1.00 53.62 ? 26 VAL A CG1 1 ATOM 132 C CG2 . VAL A 1 25 ? 41.467 -14.276 -36.316 1.00 53.21 ? 26 VAL A CG2 1 ATOM 133 N N . LYS A 1 26 ? 43.732 -13.627 -33.908 1.00 59.00 ? 27 LYS A N 1 ATOM 134 C CA . LYS A 1 26 ? 45.118 -14.033 -33.840 1.00 61.53 ? 27 LYS A CA 1 ATOM 135 C C . LYS A 1 26 ? 45.233 -15.492 -34.261 1.00 57.96 ? 27 LYS A C 1 ATOM 136 O O . LYS A 1 26 ? 44.371 -16.302 -33.954 1.00 54.41 ? 27 LYS A O 1 ATOM 137 C CB . LYS A 1 26 ? 45.607 -13.852 -32.418 1.00 63.95 ? 27 LYS A CB 1 ATOM 138 C CG . LYS A 1 26 ? 47.074 -14.154 -32.185 1.00 71.97 ? 27 LYS A CG 1 ATOM 139 C CD . LYS A 1 26 ? 47.341 -14.321 -30.690 1.00 79.65 ? 27 LYS A CD 1 ATOM 140 C CE . LYS A 1 26 ? 46.812 -15.664 -30.206 1.00 82.15 ? 27 LYS A CE 1 ATOM 141 N NZ . LYS A 1 26 ? 46.932 -15.829 -28.738 1.00 85.97 ? 27 LYS A NZ 1 ATOM 142 N N . THR A 1 27 ? 46.284 -15.797 -35.006 1.00 58.48 ? 28 THR A N 1 ATOM 143 C CA . THR A 1 27 ? 46.574 -17.143 -35.439 1.00 58.45 ? 28 THR A CA 1 ATOM 144 C C . THR A 1 27 ? 47.982 -17.473 -35.006 1.00 59.25 ? 28 THR A C 1 ATOM 145 O O . THR A 1 27 ? 48.625 -16.681 -34.338 1.00 61.97 ? 28 THR A O 1 ATOM 146 C CB . THR A 1 27 ? 46.487 -17.241 -36.965 1.00 57.47 ? 28 THR A CB 1 ATOM 147 O OG1 . THR A 1 27 ? 47.555 -16.493 -37.561 1.00 61.56 ? 28 THR A OG1 1 ATOM 148 C CG2 . THR A 1 27 ? 45.164 -16.703 -37.428 1.00 56.62 ? 28 THR A CG2 1 ATOM 149 N N . MET A 1 28 ? 48.474 -18.632 -35.403 1.00 60.16 ? 29 MET A N 1 ATOM 150 C CA . MET A 1 28 ? 49.855 -18.979 -35.155 1.00 62.48 ? 29 MET A CA 1 ATOM 151 C C . MET A 1 28 ? 50.791 -18.203 -36.063 1.00 61.90 ? 29 MET A C 1 ATOM 152 O O . MET A 1 28 ? 51.994 -18.126 -35.787 1.00 60.14 ? 29 MET A O 1 ATOM 153 C CB . MET A 1 28 ? 50.060 -20.455 -35.421 1.00 71.90 ? 29 MET A CB 1 ATOM 154 C CG . MET A 1 28 ? 49.195 -21.386 -34.584 1.00 77.52 ? 29 MET A CG 1 ATOM 155 S SD . MET A 1 28 ? 50.009 -22.986 -34.627 1.00 84.44 ? 29 MET A SD 1 ATOM 156 C CE . MET A 1 28 ? 50.988 -22.772 -33.143 1.00 83.92 ? 29 MET A CE 1 ATOM 157 N N . SER A 1 29 ? 50.228 -17.680 -37.157 1.00 57.87 ? 30 SER A N 1 ATOM 158 C CA . SER A 1 29 ? 50.976 -16.977 -38.181 1.00 61.60 ? 30 SER A CA 1 ATOM 159 C C . SER A 1 29 ? 50.939 -15.462 -38.059 1.00 65.02 ? 30 SER A C 1 ATOM 160 O O . SER A 1 29 ? 51.851 -14.798 -38.533 1.00 71.81 ? 30 SER A O 1 ATOM 161 C CB . SER A 1 29 ? 50.421 -17.332 -39.568 1.00 62.17 ? 30 SER A CB 1 ATOM 162 O OG . SER A 1 29 ? 50.700 -18.673 -39.927 1.00 59.39 ? 30 SER A OG 1 ATOM 163 N N . ASP A 1 30 ? 49.871 -14.908 -37.494 1.00 66.80 ? 31 ASP A N 1 ATOM 164 C CA . ASP A 1 30 ? 49.686 -13.458 -37.451 1.00 66.42 ? 31 ASP A CA 1 ATOM 165 C C . ASP A 1 30 ? 49.204 -13.040 -36.089 1.00 63.49 ? 31 ASP A C 1 ATOM 166 O O . ASP A 1 30 ? 48.429 -13.743 -35.474 1.00 59.55 ? 31 ASP A O 1 ATOM 167 C CB . ASP A 1 30 ? 48.643 -13.011 -38.464 1.00 69.22 ? 31 ASP A CB 1 ATOM 168 C CG . ASP A 1 30 ? 48.951 -13.477 -39.873 1.00 78.99 ? 31 ASP A CG 1 ATOM 169 O OD1 . ASP A 1 30 ? 49.718 -12.779 -40.589 1.00 78.93 ? 31 ASP A OD1 1 ATOM 170 O OD2 . ASP A 1 30 ? 48.398 -14.540 -40.259 1.00 87.45 ? 31 ASP A OD2 1 ATOM 171 N N . ASP A 1 31 ? 49.642 -11.873 -35.639 1.00 64.72 ? 32 ASP A N 1 ATOM 172 C CA . ASP A 1 31 ? 49.204 -11.329 -34.370 1.00 64.03 ? 32 ASP A CA 1 ATOM 173 C C . ASP A 1 31 ? 47.740 -10.899 -34.551 1.00 63.48 ? 32 ASP A C 1 ATOM 174 O O . ASP A 1 31 ? 46.904 -11.093 -33.652 1.00 63.08 ? 32 ASP A O 1 ATOM 175 C CB . ASP A 1 31 ? 50.125 -10.182 -33.920 1.00 63.60 ? 32 ASP A CB 1 ATOM 176 C CG . ASP A 1 31 ? 51.640 -10.545 -34.035 1.00 72.92 ? 32 ASP A CG 1 ATOM 177 O OD1 . ASP A 1 31 ? 52.139 -11.365 -33.224 1.00 76.02 ? 32 ASP A OD1 1 ATOM 178 O OD2 . ASP A 1 31 ? 52.345 -10.030 -34.956 1.00 79.57 ? 32 ASP A OD2 1 ATOM 179 N N . GLN A 1 32 ? 47.427 -10.400 -35.745 1.00 63.08 ? 33 GLN A N 1 ATOM 180 C CA . GLN A 1 32 ? 46.124 -9.818 -36.052 1.00 65.55 ? 33 GLN A CA 1 ATOM 181 C C . GLN A 1 32 ? 45.798 -10.034 -37.515 1.00 63.68 ? 33 GLN A C 1 ATOM 182 O O . GLN A 1 32 ? 46.572 -9.673 -38.364 1.00 62.24 ? 33 GLN A O 1 ATOM 183 C CB . GLN A 1 32 ? 46.147 -8.305 -35.792 1.00 69.81 ? 33 GLN A CB 1 ATOM 184 C CG . GLN A 1 32 ? 46.285 -7.916 -34.332 1.00 72.92 ? 33 GLN A CG 1 ATOM 185 C CD . GLN A 1 32 ? 44.983 -8.084 -33.562 1.00 81.95 ? 33 GLN A CD 1 ATOM 186 O OE1 . GLN A 1 32 ? 44.596 -9.191 -33.118 1.00 75.80 ? 33 GLN A OE1 1 ATOM 187 N NE2 . GLN A 1 32 ? 44.283 -6.973 -33.405 1.00 91.88 ? 33 GLN A NE2 1 ATOM 188 N N . ILE A 1 33 ? 44.647 -10.609 -37.817 1.00 64.13 ? 34 ILE A N 1 ATOM 189 C CA . ILE A 1 33 ? 44.247 -10.790 -39.202 1.00 62.82 ? 34 ILE A CA 1 ATOM 190 C C . ILE A 1 33 ? 42.725 -10.811 -39.305 1.00 62.78 ? 34 ILE A C 1 ATOM 191 O O . ILE A 1 33 ? 42.037 -11.380 -38.457 1.00 58.60 ? 34 ILE A O 1 ATOM 192 C CB . ILE A 1 33 ? 44.874 -12.063 -39.778 1.00 63.63 ? 34 ILE A CB 1 ATOM 193 C CG1 . ILE A 1 33 ? 44.762 -12.070 -41.292 1.00 69.57 ? 34 ILE A CG1 1 ATOM 194 C CG2 . ILE A 1 33 ? 44.240 -13.324 -39.216 1.00 60.71 ? 34 ILE A CG2 1 ATOM 195 C CD1 . ILE A 1 33 ? 45.378 -13.312 -41.902 1.00 71.69 ? 34 ILE A CD1 1 ATOM 196 N N . GLU A 1 34 ? 42.198 -10.172 -40.338 1.00 65.74 ? 35 GLU A N 1 ATOM 197 C CA . GLU A 1 34 ? 40.771 -9.911 -40.411 1.00 66.90 ? 35 GLU A CA 1 ATOM 198 C C . GLU A 1 34 ? 40.017 -11.091 -40.981 1.00 66.11 ? 35 GLU A C 1 ATOM 199 O O . GLU A 1 34 ? 40.351 -11.576 -42.042 1.00 72.55 ? 35 GLU A O 1 ATOM 200 C CB . GLU A 1 34 ? 40.526 -8.696 -41.271 1.00 72.51 ? 35 GLU A CB 1 ATOM 201 C CG . GLU A 1 34 ? 39.080 -8.224 -41.303 1.00 80.87 ? 35 GLU A CG 1 ATOM 202 C CD . GLU A 1 34 ? 38.941 -6.851 -41.943 1.00 83.75 ? 35 GLU A CD 1 ATOM 203 O OE1 . GLU A 1 34 ? 39.438 -5.878 -41.336 1.00 91.09 ? 35 GLU A OE1 1 ATOM 204 O OE2 . GLU A 1 34 ? 38.352 -6.746 -43.041 1.00 80.12 ? 35 GLU A OE2 1 ATOM 205 N N . VAL A 1 35 ? 39.000 -11.551 -40.266 1.00 64.02 ? 36 VAL A N 1 ATOM 206 C CA . VAL A 1 35 ? 38.122 -12.612 -40.734 1.00 61.58 ? 36 VAL A CA 1 ATOM 207 C C . VAL A 1 35 ? 36.714 -12.063 -40.772 1.00 64.53 ? 36 VAL A C 1 ATOM 208 O O . VAL A 1 35 ? 36.424 -11.022 -40.174 1.00 65.72 ? 36 VAL A O 1 ATOM 209 C CB . VAL A 1 35 ? 38.130 -13.850 -39.808 1.00 60.89 ? 36 VAL A CB 1 ATOM 210 C CG1 . VAL A 1 35 ? 39.481 -14.534 -39.834 1.00 60.80 ? 36 VAL A CG1 1 ATOM 211 C CG2 . VAL A 1 35 ? 37.788 -13.477 -38.375 1.00 62.32 ? 36 VAL A CG2 1 ATOM 212 N N . THR A 1 36 ? 35.824 -12.796 -41.436 1.00 67.13 ? 37 THR A N 1 ATOM 213 C CA . THR A 1 36 ? 34.432 -12.371 -41.627 1.00 62.41 ? 37 THR A CA 1 ATOM 214 C C . THR A 1 36 ? 33.631 -12.296 -40.342 1.00 61.92 ? 37 THR A C 1 ATOM 215 O O . THR A 1 36 ? 32.706 -11.533 -40.244 1.00 63.77 ? 37 THR A O 1 ATOM 216 C CB . THR A 1 36 ? 33.691 -13.308 -42.600 1.00 62.59 ? 37 THR A CB 1 ATOM 217 O OG1 . THR A 1 36 ? 33.841 -14.667 -42.192 1.00 61.17 ? 37 THR A OG1 1 ATOM 218 C CG2 . THR A 1 36 ? 34.238 -13.157 -44.017 1.00 63.46 ? 37 THR A CG2 1 ATOM 219 N N . ASN A 1 37 ? 33.997 -13.084 -39.348 1.00 65.71 ? 38 ASN A N 1 ATOM 220 C CA . ASN A 1 37 ? 33.228 -13.171 -38.121 1.00 66.90 ? 38 ASN A CA 1 ATOM 221 C C . ASN A 1 37 ? 33.998 -13.900 -37.020 1.00 64.21 ? 38 ASN A C 1 ATOM 222 O O . ASN A 1 37 ? 34.898 -14.670 -37.305 1.00 59.49 ? 38 ASN A O 1 ATOM 223 C CB . ASN A 1 37 ? 31.920 -13.909 -38.398 1.00 70.01 ? 38 ASN A CB 1 ATOM 224 C CG . ASN A 1 37 ? 30.889 -13.673 -37.338 1.00 73.08 ? 38 ASN A CG 1 ATOM 225 O OD1 . ASN A 1 37 ? 31.036 -12.768 -36.510 1.00 67.07 ? 38 ASN A OD1 1 ATOM 226 N ND2 . ASN A 1 37 ? 29.827 -14.482 -37.357 1.00 84.19 ? 38 ASN A ND2 1 ATOM 227 N N . ALA A 1 38 ? 33.645 -13.645 -35.765 1.00 61.21 ? 39 ALA A N 1 ATOM 228 C CA . ALA A 1 38 ? 34.298 -14.301 -34.658 1.00 59.28 ? 39 ALA A CA 1 ATOM 229 C C . ALA A 1 38 ? 33.429 -14.184 -33.423 1.00 63.33 ? 39 ALA A C 1 ATOM 230 O O . ALA A 1 38 ? 32.565 -13.311 -33.358 1.00 64.64 ? 39 ALA A O 1 ATOM 231 C CB . ALA A 1 38 ? 35.647 -13.659 -34.407 1.00 59.31 ? 39 ALA A CB 1 ATOM 232 N N . THR A 1 39 ? 33.663 -15.047 -32.438 1.00 62.83 ? 40 THR A N 1 ATOM 233 C CA . THR A 1 39 ? 32.906 -14.999 -31.199 1.00 63.43 ? 40 THR A CA 1 ATOM 234 C C . THR A 1 39 ? 33.862 -14.876 -30.022 1.00 58.63 ? 40 THR A C 1 ATOM 235 O O . THR A 1 39 ? 34.968 -15.383 -30.100 1.00 60.12 ? 40 THR A O 1 ATOM 236 C CB . THR A 1 39 ? 31.965 -16.207 -31.037 1.00 64.49 ? 40 THR A CB 1 ATOM 237 O OG1 . THR A 1 39 ? 31.585 -16.324 -29.658 1.00 75.16 ? 40 THR A OG1 1 ATOM 238 C CG2 . THR A 1 39 ? 32.628 -17.475 -31.439 1.00 66.95 ? 40 THR A CG2 1 ATOM 239 N N . GLU A 1 40 ? 33.432 -14.141 -28.984 1.00 59.53 ? 41 GLU A N 1 ATOM 240 C CA . GLU A 1 40 ? 34.120 -14.028 -27.681 1.00 57.94 ? 41 GLU A CA 1 ATOM 241 C C . GLU A 1 40 ? 34.021 -15.349 -26.925 1.00 57.74 ? 41 GLU A C 1 ATOM 242 O O . GLU A 1 40 ? 32.937 -15.922 -26.757 1.00 58.57 ? 41 GLU A O 1 ATOM 243 C CB . GLU A 1 40 ? 33.449 -13.000 -26.774 1.00 60.20 ? 41 GLU A CB 1 ATOM 244 C CG . GLU A 1 40 ? 34.291 -11.851 -26.246 1.00 67.40 ? 41 GLU A CG 1 ATOM 245 C CD . GLU A 1 40 ? 35.700 -12.195 -25.819 1.00 69.36 ? 41 GLU A CD 1 ATOM 246 O OE1 . GLU A 1 40 ? 35.972 -13.297 -25.304 1.00 67.65 ? 41 GLU A OE1 1 ATOM 247 O OE2 . GLU A 1 40 ? 36.554 -11.312 -26.002 1.00 72.12 ? 41 GLU A OE2 1 ATOM 248 N N . LEU A 1 41 ? 35.159 -15.775 -26.421 1.00 53.97 ? 42 LEU A N 1 ATOM 249 C CA . LEU A 1 41 ? 35.287 -16.972 -25.643 1.00 55.66 ? 42 LEU A CA 1 ATOM 250 C C . LEU A 1 41 ? 35.419 -16.706 -24.127 1.00 57.04 ? 42 LEU A C 1 ATOM 251 O O . LEU A 1 41 ? 35.513 -17.651 -23.350 1.00 61.19 ? 42 LEU A O 1 ATOM 252 C CB . LEU A 1 41 ? 36.557 -17.662 -26.110 1.00 58.12 ? 42 LEU A CB 1 ATOM 253 C CG . LEU A 1 41 ? 36.440 -18.872 -27.004 1.00 58.06 ? 42 LEU A CG 1 ATOM 254 C CD1 . LEU A 1 41 ? 35.270 -18.768 -27.946 1.00 55.53 ? 42 LEU A CD1 1 ATOM 255 C CD2 . LEU A 1 41 ? 37.763 -19.062 -27.732 1.00 61.43 ? 42 LEU A CD2 1 ATOM 256 N N . VAL A 1 42 ? 35.458 -15.439 -23.720 1.00 51.74 ? 43 VAL A N 1 ATOM 257 C CA . VAL A 1 42 ? 35.672 -15.076 -22.351 1.00 51.35 ? 43 VAL A CA 1 ATOM 258 C C . VAL A 1 42 ? 34.523 -14.221 -21.837 1.00 53.91 ? 43 VAL A C 1 ATOM 259 O O . VAL A 1 42 ? 34.228 -13.169 -22.393 1.00 58.68 ? 43 VAL A O 1 ATOM 260 C CB . VAL A 1 42 ? 36.932 -14.241 -22.195 1.00 51.70 ? 43 VAL A CB 1 ATOM 261 C CG1 . VAL A 1 42 ? 37.228 -14.028 -20.719 1.00 56.96 ? 43 VAL A CG1 1 ATOM 262 C CG2 . VAL A 1 42 ? 38.080 -14.927 -22.854 1.00 52.94 ? 43 VAL A CG2 1 ATOM 263 N N . GLN A 1 43 ? 33.900 -14.681 -20.760 1.00 56.62 ? 44 GLN A N 1 ATOM 264 C CA . GLN A 1 43 ? 32.846 -13.955 -20.085 1.00 56.01 ? 44 GLN A CA 1 ATOM 265 C C . GLN A 1 43 ? 33.466 -12.926 -19.160 1.00 55.76 ? 44 GLN A C 1 ATOM 266 O O . GLN A 1 43 ? 34.181 -13.240 -18.214 1.00 58.30 ? 44 GLN A O 1 ATOM 267 C CB . GLN A 1 43 ? 31.986 -14.920 -19.296 1.00 59.93 ? 44 GLN A CB 1 ATOM 268 C CG . GLN A 1 43 ? 30.672 -14.343 -18.810 1.00 62.35 ? 44 GLN A CG 1 ATOM 269 C CD . GLN A 1 43 ? 29.745 -14.044 -19.945 1.00 59.35 ? 44 GLN A CD 1 ATOM 270 O OE1 . GLN A 1 43 ? 29.541 -14.878 -20.819 1.00 69.79 ? 44 GLN A OE1 1 ATOM 271 N NE2 . GLN A 1 43 ? 29.188 -12.856 -19.946 1.00 58.17 ? 44 GLN A NE2 1 ATOM 272 N N . SER A 1 44 ? 33.164 -11.684 -19.474 1.00 60.63 ? 45 SER A N 1 ATOM 273 C CA . SER A 1 44 ? 33.801 -10.497 -18.931 1.00 60.89 ? 45 SER A CA 1 ATOM 274 C C . SER A 1 44 ? 32.836 -9.756 -18.008 1.00 61.44 ? 45 SER A C 1 ATOM 275 O O . SER A 1 44 ? 33.244 -9.025 -17.115 1.00 59.51 ? 45 SER A O 1 ATOM 276 C CB . SER A 1 44 ? 34.089 -9.605 -20.135 1.00 65.00 ? 45 SER A CB 1 ATOM 277 O OG . SER A 1 44 ? 35.207 -8.802 -19.912 1.00 73.48 ? 45 SER A OG 1 ATOM 278 N N . ILE A 1 45 ? 31.549 -9.995 -18.247 1.00 68.02 ? 46 ILE A N 1 ATOM 279 C CA . ILE A 1 45 ? 30.432 -9.221 -17.759 1.00 74.31 ? 46 ILE A CA 1 ATOM 280 C C . ILE A 1 45 ? 29.648 -10.147 -16.849 1.00 76.58 ? 46 ILE A C 1 ATOM 281 O O . ILE A 1 45 ? 29.373 -11.298 -17.212 1.00 71.88 ? 46 ILE A O 1 ATOM 282 C CB . ILE A 1 45 ? 29.517 -8.801 -18.940 1.00 79.65 ? 46 ILE A CB 1 ATOM 283 C CG1 . ILE A 1 45 ? 30.048 -7.527 -19.620 1.00 89.18 ? 46 ILE A CG1 1 ATOM 284 C CG2 . ILE A 1 45 ? 28.075 -8.590 -18.494 1.00 79.46 ? 46 ILE A CG2 1 ATOM 285 C CD1 . ILE A 1 45 ? 29.540 -7.308 -21.049 1.00 93.37 ? 46 ILE A CD1 1 ATOM 286 N N . SER A 1 46 ? 29.275 -9.622 -15.683 1.00 74.99 ? 47 SER A N 1 ATOM 287 C CA . SER A 1 46 ? 28.446 -10.338 -14.736 1.00 72.39 ? 47 SER A CA 1 ATOM 288 C C . SER A 1 46 ? 27.055 -9.754 -14.774 1.00 70.65 ? 47 SER A C 1 ATOM 289 O O . SER A 1 46 ? 26.874 -8.601 -15.127 1.00 67.03 ? 47 SER A O 1 ATOM 290 C CB . SER A 1 46 ? 28.998 -10.192 -13.313 1.00 74.37 ? 47 SER A CB 1 ATOM 291 O OG . SER A 1 46 ? 28.269 -9.228 -12.574 1.00 70.47 ? 47 SER A OG 1 ATOM 292 N N . MET A 1 47 ? 26.080 -10.545 -14.345 1.00 72.54 ? 48 MET A N 1 ATOM 293 C CA . MET A 1 47 ? 24.703 -10.079 -14.259 1.00 73.87 ? 48 MET A CA 1 ATOM 294 C C . MET A 1 47 ? 24.488 -8.995 -13.216 1.00 69.95 ? 48 MET A C 1 ATOM 295 O O . MET A 1 47 ? 23.479 -8.312 -13.272 1.00 74.48 ? 48 MET A O 1 ATOM 296 C CB . MET A 1 47 ? 23.753 -11.248 -14.006 1.00 76.16 ? 48 MET A CB 1 ATOM 297 C CG . MET A 1 47 ? 23.478 -12.057 -15.266 1.00 78.53 ? 48 MET A CG 1 ATOM 298 S SD . MET A 1 47 ? 22.962 -13.723 -14.849 1.00 86.77 ? 48 MET A SD 1 ATOM 299 C CE . MET A 1 47 ? 23.161 -14.662 -16.376 1.00 89.75 ? 48 MET A CE 1 ATOM 300 N N . GLY A 1 48 ? 25.419 -8.828 -12.279 1.00 67.66 ? 49 GLY A N 1 ATOM 301 C CA . GLY A 1 48 ? 25.308 -7.766 -11.257 1.00 68.59 ? 49 GLY A CA 1 ATOM 302 C C . GLY A 1 48 ? 24.468 -8.127 -10.023 1.00 66.26 ? 49 GLY A C 1 ATOM 303 O O . GLY A 1 48 ? 24.439 -7.402 -9.049 1.00 70.74 ? 49 GLY A O 1 ATOM 304 N N . LYS A 1 49 ? 23.767 -9.242 -10.084 1.00 65.67 ? 50 LYS A N 1 ATOM 305 C CA . LYS A 1 49 ? 22.975 -9.727 -9.002 1.00 66.73 ? 50 LYS A CA 1 ATOM 306 C C . LYS A 1 49 ? 23.240 -11.212 -8.922 1.00 65.56 ? 50 LYS A C 1 ATOM 307 O O . LYS A 1 49 ? 23.910 -11.773 -9.775 1.00 58.96 ? 50 LYS A O 1 ATOM 308 C CB . LYS A 1 49 ? 21.503 -9.414 -9.226 1.00 75.36 ? 50 LYS A CB 1 ATOM 309 C CG . LYS A 1 49 ? 20.938 -9.714 -10.611 1.00 83.87 ? 50 LYS A CG 1 ATOM 310 C CD . LYS A 1 49 ? 19.773 -8.764 -10.910 1.00 95.37 ? 50 LYS A CD 1 ATOM 311 C CE . LYS A 1 49 ? 18.721 -9.332 -11.870 1.00 98.11 ? 50 LYS A CE 1 ATOM 312 N NZ . LYS A 1 49 ? 19.179 -9.364 -13.282 1.00 90.93 ? 50 LYS A NZ 1 ATOM 313 N N . ILE A 1 50 ? 22.788 -11.837 -7.849 1.00 69.31 ? 51 ILE A N 1 ATOM 314 C CA . ILE A 1 50 ? 22.907 -13.277 -7.710 1.00 65.02 ? 51 ILE A CA 1 ATOM 315 C C . ILE A 1 50 ? 21.536 -13.846 -7.937 1.00 65.20 ? 51 ILE A C 1 ATOM 316 O O . ILE A 1 50 ? 20.590 -13.511 -7.222 1.00 69.33 ? 51 ILE A O 1 ATOM 317 C CB . ILE A 1 50 ? 23.367 -13.674 -6.309 1.00 64.53 ? 51 ILE A CB 1 ATOM 318 C CG1 . ILE A 1 50 ? 24.856 -13.391 -6.168 1.00 62.45 ? 51 ILE A CG1 1 ATOM 319 C CG2 . ILE A 1 50 ? 23.084 -15.147 -6.076 1.00 64.79 ? 51 ILE A CG2 1 ATOM 320 C CD1 . ILE A 1 50 ? 25.396 -13.574 -4.773 1.00 60.93 ? 51 ILE A CD1 1 ATOM 321 N N . CYS A 1 51 ? 21.428 -14.708 -8.927 1.00 64.14 ? 52 CYS A N 1 ATOM 322 C CA . CYS A 1 51 ? 20.146 -15.266 -9.278 1.00 65.63 ? 52 CYS A CA 1 ATOM 323 C C . CYS A 1 51 ? 19.634 -16.292 -8.263 1.00 62.67 ? 52 CYS A C 1 ATOM 324 O O . CYS A 1 51 ? 20.360 -17.174 -7.785 1.00 57.82 ? 52 CYS A O 1 ATOM 325 C CB . CYS A 1 51 ? 20.213 -15.852 -10.674 1.00 70.89 ? 52 CYS A CB 1 ATOM 326 S SG . CYS A 1 51 ? 20.508 -14.572 -11.922 1.00 79.82 ? 52 CYS A SG 1 ATOM 327 N N . ASN A 1 52 ? 18.359 -16.147 -7.942 1.00 59.59 ? 53 ASN A N 1 ATOM 328 C CA . ASN A 1 52 ? 17.711 -17.013 -6.985 1.00 61.23 ? 53 ASN A CA 1 ATOM 329 C C . ASN A 1 52 ? 17.400 -18.397 -7.536 1.00 62.77 ? 53 ASN A C 1 ATOM 330 O O . ASN A 1 52 ? 16.980 -19.267 -6.783 1.00 70.38 ? 53 ASN A O 1 ATOM 331 C CB . ASN A 1 52 ? 16.457 -16.335 -6.436 1.00 60.55 ? 53 ASN A CB 1 ATOM 332 C CG . ASN A 1 52 ? 15.256 -16.466 -7.360 1.00 65.01 ? 53 ASN A CG 1 ATOM 333 O OD1 . ASN A 1 52 ? 14.175 -16.797 -6.900 1.00 67.90 ? 53 ASN A OD1 1 ATOM 334 N ND2 . ASN A 1 52 ? 15.426 -16.210 -8.656 1.00 68.03 ? 53 ASN A ND2 1 ATOM 335 N N . LYS A 1 53 ? 17.593 -18.601 -8.835 1.00 61.99 ? 54 LYS A N 1 ATOM 336 C CA . LYS A 1 53 ? 17.515 -19.933 -9.455 1.00 64.58 ? 54 LYS A CA 1 ATOM 337 C C . LYS A 1 53 ? 18.736 -20.092 -10.352 1.00 63.51 ? 54 LYS A C 1 ATOM 338 O O . LYS A 1 53 ? 19.209 -19.094 -10.882 1.00 63.32 ? 54 LYS A O 1 ATOM 339 C CB . LYS A 1 53 ? 16.253 -20.071 -10.292 1.00 65.68 ? 54 LYS A CB 1 ATOM 340 C CG . LYS A 1 53 ? 14.965 -19.821 -9.546 1.00 70.64 ? 54 LYS A CG 1 ATOM 341 C CD . LYS A 1 53 ? 14.744 -20.896 -8.496 1.00 75.90 ? 54 LYS A CD 1 ATOM 342 C CE . LYS A 1 53 ? 13.480 -20.676 -7.676 1.00 76.14 ? 54 LYS A CE 1 ATOM 343 N NZ . LYS A 1 53 ? 13.510 -21.606 -6.520 1.00 77.31 ? 54 LYS A NZ 1 ATOM 344 N N . SER A 1 54 ? 19.227 -21.313 -10.585 1.00 62.73 ? 55 SER A N 1 ATOM 345 C CA . SER A 1 54 ? 18.502 -22.564 -10.300 1.00 64.73 ? 55 SER A CA 1 ATOM 346 C C . SER A 1 54 ? 18.921 -23.276 -9.001 1.00 60.83 ? 55 SER A C 1 ATOM 347 O O . SER A 1 54 ? 18.250 -24.201 -8.585 1.00 61.35 ? 55 SER A O 1 ATOM 348 C CB . SER A 1 54 ? 18.645 -23.510 -11.489 1.00 63.45 ? 55 SER A CB 1 ATOM 349 O OG . SER A 1 54 ? 20.020 -23.731 -11.747 1.00 65.24 ? 55 SER A OG 1 ATOM 350 N N . TYR A 1 55 ? 20.004 -22.835 -8.372 1.00 58.90 ? 56 TYR A N 1 ATOM 351 C CA . TYR A 1 55 ? 20.430 -23.355 -7.074 1.00 56.20 ? 56 TYR A CA 1 ATOM 352 C C . TYR A 1 55 ? 19.729 -22.664 -5.915 1.00 58.93 ? 56 TYR A C 1 ATOM 353 O O . TYR A 1 55 ? 19.283 -21.531 -6.034 1.00 63.62 ? 56 TYR A O 1 ATOM 354 C CB . TYR A 1 55 ? 21.911 -23.134 -6.892 1.00 53.93 ? 56 TYR A CB 1 ATOM 355 C CG . TYR A 1 55 ? 22.753 -23.886 -7.863 1.00 58.04 ? 56 TYR A CG 1 ATOM 356 C CD1 . TYR A 1 55 ? 22.860 -25.277 -7.788 1.00 58.73 ? 56 TYR A CD1 1 ATOM 357 C CD2 . TYR A 1 55 ? 23.438 -23.221 -8.884 1.00 61.22 ? 56 TYR A CD2 1 ATOM 358 C CE1 . TYR A 1 55 ? 23.638 -25.984 -8.691 1.00 60.44 ? 56 TYR A CE1 1 ATOM 359 C CE2 . TYR A 1 55 ? 24.210 -23.924 -9.799 1.00 62.98 ? 56 TYR A CE2 1 ATOM 360 C CZ . TYR A 1 55 ? 24.317 -25.304 -9.689 1.00 63.65 ? 56 TYR A CZ 1 ATOM 361 O OH . TYR A 1 55 ? 25.068 -26.009 -10.589 1.00 64.08 ? 56 TYR A OH 1 ATOM 362 N N . ARG A 1 56 ? 19.666 -23.353 -4.784 1.00 61.57 ? 57 ARG A N 1 ATOM 363 C CA . ARG A 1 56 ? 19.053 -22.814 -3.570 1.00 62.19 ? 57 ARG A CA 1 ATOM 364 C C . ARG A 1 56 ? 20.050 -21.929 -2.854 1.00 62.97 ? 57 ARG A C 1 ATOM 365 O O . ARG A 1 56 ? 21.074 -22.412 -2.321 1.00 60.43 ? 57 ARG A O 1 ATOM 366 C CB . ARG A 1 56 ? 18.577 -23.936 -2.643 1.00 63.46 ? 57 ARG A CB 1 ATOM 367 C CG . ARG A 1 56 ? 17.512 -24.836 -3.272 1.00 68.16 ? 57 ARG A CG 1 ATOM 368 C CD . ARG A 1 56 ? 16.439 -25.297 -2.293 1.00 68.36 ? 57 ARG A CD 1 ATOM 369 N NE . ARG A 1 56 ? 17.047 -25.934 -1.137 1.00 67.20 ? 57 ARG A NE 1 ATOM 370 C CZ . ARG A 1 56 ? 16.854 -25.584 0.128 1.00 66.17 ? 57 ARG A CZ 1 ATOM 371 N NH1 . ARG A 1 56 ? 16.029 -24.606 0.458 1.00 68.32 ? 57 ARG A NH1 1 ATOM 372 N NH2 . ARG A 1 56 ? 17.498 -26.241 1.074 1.00 66.64 ? 57 ARG A NH2 1 ATOM 373 N N . ILE A 1 57 ? 19.745 -20.632 -2.851 1.00 60.15 ? 58 ILE A N 1 ATOM 374 C CA . ILE A 1 57 ? 20.648 -19.629 -2.319 1.00 60.95 ? 58 ILE A CA 1 ATOM 375 C C . ILE A 1 57 ? 20.053 -19.191 -1.024 1.00 59.75 ? 58 ILE A C 1 ATOM 376 O O . ILE A 1 57 ? 18.853 -18.986 -0.977 1.00 58.36 ? 58 ILE A O 1 ATOM 377 C CB . ILE A 1 57 ? 20.706 -18.369 -3.223 1.00 65.05 ? 58 ILE A CB 1 ATOM 378 C CG1 . ILE A 1 57 ? 21.001 -18.733 -4.671 1.00 63.39 ? 58 ILE A CG1 1 ATOM 379 C CG2 . ILE A 1 57 ? 21.752 -17.382 -2.727 1.00 64.90 ? 58 ILE A CG2 1 ATOM 380 C CD1 . ILE A 1 57 ? 22.299 -19.473 -4.847 1.00 63.95 ? 58 ILE A CD1 1 ATOM 381 N N . LEU A 1 58 ? 20.890 -19.020 0.005 1.00 58.28 ? 59 LEU A N 1 ATOM 382 C CA . LEU A 1 58 ? 20.458 -18.528 1.300 1.00 54.96 ? 59 LEU A CA 1 ATOM 383 C C . LEU A 1 58 ? 21.293 -17.335 1.721 1.00 54.62 ? 59 LEU A C 1 ATOM 384 O O . LEU A 1 58 ? 22.505 -17.403 1.786 1.00 56.56 ? 59 LEU A O 1 ATOM 385 C CB . LEU A 1 58 ? 20.603 -19.621 2.324 1.00 59.52 ? 59 LEU A CB 1 ATOM 386 C CG . LEU A 1 58 ? 20.105 -19.333 3.738 1.00 63.21 ? 59 LEU A CG 1 ATOM 387 C CD1 . LEU A 1 58 ? 18.616 -19.083 3.774 1.00 64.80 ? 59 LEU A CD1 1 ATOM 388 C CD2 . LEU A 1 58 ? 20.439 -20.543 4.588 1.00 66.57 ? 59 LEU A CD2 1 ATOM 389 N N . ASP A 1 59 ? 20.629 -16.229 2.006 1.00 57.60 ? 60 ASP A N 1 ATOM 390 C CA . ASP A 1 59 ? 21.301 -14.992 2.316 1.00 56.78 ? 60 ASP A CA 1 ATOM 391 C C . ASP A 1 59 ? 21.587 -14.920 3.811 1.00 56.25 ? 60 ASP A C 1 ATOM 392 O O . ASP A 1 59 ? 20.693 -14.808 4.606 1.00 57.38 ? 60 ASP A O 1 ATOM 393 C CB . ASP A 1 59 ? 20.425 -13.821 1.859 1.00 58.96 ? 60 ASP A CB 1 ATOM 394 C CG . ASP A 1 59 ? 21.149 -12.471 1.901 1.00 62.70 ? 60 ASP A CG 1 ATOM 395 O OD1 . ASP A 1 59 ? 22.245 -12.370 2.515 1.00 61.77 ? 60 ASP A OD1 1 ATOM 396 O OD2 . ASP A 1 59 ? 20.605 -11.495 1.328 1.00 63.87 ? 60 ASP A OD2 1 ATOM 397 N N . GLY A 1 60 ? 22.852 -14.984 4.188 1.00 59.76 ? 61 GLY A N 1 ATOM 398 C CA . GLY A 1 60 ? 23.249 -14.800 5.575 1.00 58.45 ? 61 GLY A CA 1 ATOM 399 C C . GLY A 1 60 ? 22.689 -13.533 6.194 1.00 61.95 ? 61 GLY A C 1 ATOM 400 O O . GLY A 1 60 ? 22.451 -13.498 7.396 1.00 60.52 ? 61 GLY A O 1 ATOM 401 N N . ARG A 1 61 ? 22.459 -12.495 5.387 1.00 63.55 ? 62 ARG A N 1 ATOM 402 C CA . ARG A 1 61 ? 22.133 -11.181 5.915 1.00 66.37 ? 62 ARG A CA 1 ATOM 403 C C . ARG A 1 61 ? 23.124 -10.900 7.040 1.00 67.48 ? 62 ARG A C 1 ATOM 404 O O . ARG A 1 61 ? 24.338 -11.000 6.849 1.00 75.39 ? 62 ARG A O 1 ATOM 405 C CB . ARG A 1 61 ? 20.684 -11.136 6.408 1.00 69.58 ? 62 ARG A CB 1 ATOM 406 C CG . ARG A 1 61 ? 19.662 -11.452 5.340 1.00 77.18 ? 62 ARG A CG 1 ATOM 407 C CD . ARG A 1 61 ? 18.239 -11.160 5.788 1.00 86.13 ? 62 ARG A CD 1 ATOM 408 N NE . ARG A 1 61 ? 17.307 -12.129 5.205 1.00 94.69 ? 62 ARG A NE 1 ATOM 409 C CZ . ARG A 1 61 ? 16.733 -12.034 4.000 1.00 97.21 ? 62 ARG A CZ 1 ATOM 410 N NH1 . ARG A 1 61 ? 16.950 -10.983 3.204 1.00 95.49 ? 62 ARG A NH1 1 ATOM 411 N NH2 . ARG A 1 61 ? 15.915 -13.006 3.588 1.00 92.81 ? 62 ARG A NH2 1 ATOM 412 N N . ASN A 1 62 ? 22.608 -10.620 8.222 1.00 65.54 ? 63 ASN A N 1 ATOM 413 C CA . ASN A 1 62 ? 23.421 -10.271 9.374 1.00 70.61 ? 63 ASN A CA 1 ATOM 414 C C . ASN A 1 62 ? 24.229 -11.415 10.030 1.00 67.55 ? 63 ASN A C 1 ATOM 415 O O . ASN A 1 62 ? 24.944 -11.178 10.996 1.00 64.78 ? 63 ASN A O 1 ATOM 416 C CB . ASN A 1 62 ? 22.491 -9.652 10.438 1.00 70.71 ? 63 ASN A CB 1 ATOM 417 C CG . ASN A 1 62 ? 22.125 -8.219 10.132 1.00 71.56 ? 63 ASN A CG 1 ATOM 418 O OD1 . ASN A 1 62 ? 22.785 -7.559 9.331 1.00 67.47 ? 63 ASN A OD1 1 ATOM 419 N ND2 . ASN A 1 62 ? 21.066 -7.721 10.784 1.00 80.14 ? 63 ASN A ND2 1 ATOM 420 N N . CYS A 1 63 ? 24.125 -12.634 9.513 1.00 65.26 ? 64 CYS A N 1 ATOM 421 C CA . CYS A 1 63 ? 24.664 -13.801 10.188 1.00 67.33 ? 64 CYS A CA 1 ATOM 422 C C . CYS A 1 63 ? 25.760 -14.512 9.402 1.00 60.73 ? 64 CYS A C 1 ATOM 423 O O . CYS A 1 63 ? 25.652 -14.710 8.211 1.00 62.77 ? 64 CYS A O 1 ATOM 424 C CB . CYS A 1 63 ? 23.524 -14.782 10.472 1.00 72.96 ? 64 CYS A CB 1 ATOM 425 S SG . CYS A 1 63 ? 22.404 -14.250 11.799 1.00 90.09 ? 64 CYS A SG 1 ATOM 426 N N . THR A 1 64 ? 26.809 -14.915 10.094 1.00 59.94 ? 65 THR A N 1 ATOM 427 C CA . THR A 1 64 ? 27.794 -15.789 9.520 1.00 55.89 ? 65 THR A CA 1 ATOM 428 C C . THR A 1 64 ? 27.227 -17.186 9.592 1.00 56.38 ? 65 THR A C 1 ATOM 429 O O . THR A 1 64 ? 26.325 -17.463 10.381 1.00 58.98 ? 65 THR A O 1 ATOM 430 C CB . THR A 1 64 ? 29.101 -15.785 10.332 1.00 59.47 ? 65 THR A CB 1 ATOM 431 O OG1 . THR A 1 64 ? 28.877 -16.343 11.633 1.00 56.07 ? 65 THR A OG1 1 ATOM 432 C CG2 . THR A 1 64 ? 29.639 -14.375 10.497 1.00 62.64 ? 65 THR A CG2 1 ATOM 433 N N . LEU A 1 65 ? 27.777 -18.075 8.783 1.00 55.31 ? 66 LEU A N 1 ATOM 434 C CA . LEU A 1 65 ? 27.395 -19.461 8.812 1.00 57.44 ? 66 LEU A CA 1 ATOM 435 C C . LEU A 1 65 ? 27.597 -20.081 10.195 1.00 61.04 ? 66 LEU A C 1 ATOM 436 O O . LEU A 1 65 ? 26.729 -20.805 10.678 1.00 58.13 ? 66 LEU A O 1 ATOM 437 C CB . LEU A 1 65 ? 28.203 -20.241 7.791 1.00 58.93 ? 66 LEU A CB 1 ATOM 438 C CG . LEU A 1 65 ? 27.909 -21.734 7.626 1.00 59.88 ? 66 LEU A CG 1 ATOM 439 C CD1 . LEU A 1 65 ? 26.422 -22.000 7.485 1.00 62.32 ? 66 LEU A CD1 1 ATOM 440 C CD2 . LEU A 1 65 ? 28.630 -22.253 6.393 1.00 61.11 ? 66 LEU A CD2 1 ATOM 441 N N . ILE A 1 66 ? 28.733 -19.802 10.830 1.00 59.75 ? 67 ILE A N 1 ATOM 442 C CA . ILE A 1 66 ? 28.993 -20.369 12.135 1.00 55.54 ? 67 ILE A CA 1 ATOM 443 C C . ILE A 1 66 ? 27.950 -19.903 13.142 1.00 58.82 ? 67 ILE A C 1 ATOM 444 O O . ILE A 1 66 ? 27.422 -20.713 13.901 1.00 61.92 ? 67 ILE A O 1 ATOM 445 C CB . ILE A 1 66 ? 30.386 -20.012 12.667 1.00 54.61 ? 67 ILE A CB 1 ATOM 446 C CG1 . ILE A 1 66 ? 31.502 -20.700 11.867 1.00 54.70 ? 67 ILE A CG1 1 ATOM 447 C CG2 . ILE A 1 66 ? 30.493 -20.413 14.121 1.00 59.19 ? 67 ILE A CG2 1 ATOM 448 C CD1 . ILE A 1 66 ? 31.440 -22.218 11.826 1.00 53.79 ? 67 ILE A CD1 1 ATOM 449 N N . ASP A 1 67 ? 27.643 -18.610 13.161 1.00 61.11 ? 68 ASP A N 1 ATOM 450 C CA . ASP A 1 67 ? 26.697 -18.091 14.159 1.00 61.55 ? 68 ASP A CA 1 ATOM 451 C C . ASP A 1 67 ? 25.342 -18.750 13.950 1.00 60.59 ? 68 ASP A C 1 ATOM 452 O O . ASP A 1 67 ? 24.687 -19.132 14.930 1.00 58.00 ? 68 ASP A O 1 ATOM 453 C CB . ASP A 1 67 ? 26.536 -16.562 14.111 1.00 63.90 ? 68 ASP A CB 1 ATOM 454 C CG . ASP A 1 67 ? 27.759 -15.798 14.625 1.00 65.52 ? 68 ASP A CG 1 ATOM 455 O OD1 . ASP A 1 67 ? 28.448 -16.276 15.546 1.00 70.01 ? 68 ASP A OD1 1 ATOM 456 O OD2 . ASP A 1 67 ? 28.002 -14.685 14.106 1.00 71.54 ? 68 ASP A OD2 1 ATOM 457 N N . ALA A 1 68 ? 24.930 -18.888 12.685 1.00 57.05 ? 69 ALA A N 1 ATOM 458 C CA . ALA A 1 68 ? 23.656 -19.542 12.361 1.00 59.13 ? 69 ALA A CA 1 ATOM 459 C C . ALA A 1 68 ? 23.612 -20.935 12.943 1.00 60.84 ? 69 ALA A C 1 ATOM 460 O O . ALA A 1 68 ? 22.598 -21.372 13.490 1.00 65.08 ? 69 ALA A O 1 ATOM 461 C CB . ALA A 1 68 ? 23.429 -19.604 10.864 1.00 60.03 ? 69 ALA A CB 1 ATOM 462 N N . MET A 1 69 ? 24.735 -21.619 12.883 1.00 60.94 ? 70 MET A N 1 ATOM 463 C CA . MET A 1 69 ? 24.744 -22.969 13.344 1.00 64.81 ? 70 MET A CA 1 ATOM 464 C C . MET A 1 69 ? 24.863 -23.079 14.872 1.00 62.51 ? 70 MET A C 1 ATOM 465 O O . MET A 1 69 ? 24.221 -23.954 15.461 1.00 61.76 ? 70 MET A O 1 ATOM 466 C CB . MET A 1 69 ? 25.794 -23.772 12.585 1.00 65.81 ? 70 MET A CB 1 ATOM 467 C CG . MET A 1 69 ? 27.196 -23.682 13.100 1.00 69.51 ? 70 MET A CG 1 ATOM 468 S SD . MET A 1 69 ? 27.609 -25.269 13.778 1.00 78.32 ? 70 MET A SD 1 ATOM 469 C CE . MET A 1 69 ? 29.291 -24.929 14.268 1.00 75.04 ? 70 MET A CE 1 ATOM 470 N N . LEU A 1 70 ? 25.616 -22.186 15.512 1.00 56.23 ? 71 LEU A N 1 ATOM 471 C CA . LEU A 1 70 ? 25.705 -22.194 16.981 1.00 58.50 ? 71 LEU A CA 1 ATOM 472 C C . LEU A 1 70 ? 24.404 -21.779 17.652 1.00 60.29 ? 71 LEU A C 1 ATOM 473 O O . LEU A 1 70 ? 24.114 -22.201 18.770 1.00 61.34 ? 71 LEU A O 1 ATOM 474 C CB . LEU A 1 70 ? 26.789 -21.252 17.476 1.00 59.79 ? 71 LEU A CB 1 ATOM 475 C CG . LEU A 1 70 ? 28.224 -21.632 17.153 1.00 59.21 ? 71 LEU A CG 1 ATOM 476 C CD1 . LEU A 1 70 ? 29.150 -20.521 17.607 1.00 60.63 ? 71 LEU A CD1 1 ATOM 477 C CD2 . LEU A 1 70 ? 28.583 -22.942 17.813 1.00 59.43 ? 71 LEU A CD2 1 ATOM 478 N N . GLY A 1 71 ? 23.637 -20.939 16.973 1.00 60.05 ? 72 GLY A N 1 ATOM 479 C CA . GLY A 1 71 ? 22.381 -20.483 17.492 1.00 60.89 ? 72 GLY A CA 1 ATOM 480 C C . GLY A 1 71 ? 22.478 -19.184 18.257 1.00 62.65 ? 72 GLY A C 1 ATOM 481 O O . GLY A 1 71 ? 21.791 -19.011 19.250 1.00 68.91 ? 72 GLY A O 1 ATOM 482 N N . ASP A 1 72 ? 23.340 -18.283 17.802 1.00 63.39 ? 73 ASP A N 1 ATOM 483 C CA . ASP A 1 72 ? 23.289 -16.864 18.169 1.00 63.99 ? 73 ASP A CA 1 ATOM 484 C C . ASP A 1 72 ? 21.854 -16.371 17.961 1.00 66.75 ? 73 ASP A C 1 ATOM 485 O O . ASP A 1 72 ? 21.273 -16.587 16.913 1.00 69.01 ? 73 ASP A O 1 ATOM 486 C CB . ASP A 1 72 ? 24.257 -16.104 17.267 1.00 65.73 ? 73 ASP A CB 1 ATOM 487 C CG . ASP A 1 72 ? 24.455 -14.657 17.658 1.00 69.97 ? 73 ASP A CG 1 ATOM 488 O OD1 . ASP A 1 72 ? 23.476 -13.982 18.026 1.00 74.42 ? 73 ASP A OD1 1 ATOM 489 O OD2 . ASP A 1 72 ? 25.616 -14.186 17.541 1.00 74.97 ? 73 ASP A OD2 1 ATOM 490 N N . PRO A 1 73 ? 21.261 -15.740 18.974 1.00 70.88 ? 74 PRO A N 1 ATOM 491 C CA . PRO A 1 73 ? 19.852 -15.355 18.960 1.00 73.11 ? 74 PRO A CA 1 ATOM 492 C C . PRO A 1 73 ? 19.351 -14.597 17.752 1.00 70.81 ? 74 PRO A C 1 ATOM 493 O O . PRO A 1 73 ? 18.228 -14.848 17.305 1.00 72.41 ? 74 PRO A O 1 ATOM 494 C CB . PRO A 1 73 ? 19.728 -14.480 20.197 1.00 75.69 ? 74 PRO A CB 1 ATOM 495 C CG . PRO A 1 73 ? 20.665 -15.121 21.146 1.00 76.77 ? 74 PRO A CG 1 ATOM 496 C CD . PRO A 1 73 ? 21.829 -15.614 20.322 1.00 72.85 ? 74 PRO A CD 1 ATOM 497 N N . HIS A 1 74 ? 20.138 -13.668 17.229 1.00 69.74 ? 75 HIS A N 1 ATOM 498 C CA . HIS A 1 74 ? 19.686 -12.948 16.026 1.00 70.73 ? 75 HIS A CA 1 ATOM 499 C C . HIS A 1 74 ? 19.727 -13.832 14.767 1.00 67.21 ? 75 HIS A C 1 ATOM 500 O O . HIS A 1 74 ? 19.171 -13.469 13.750 1.00 64.18 ? 75 HIS A O 1 ATOM 501 C CB . HIS A 1 74 ? 20.389 -11.589 15.848 1.00 70.39 ? 75 HIS A CB 1 ATOM 502 C CG . HIS A 1 74 ? 21.757 -11.668 15.258 1.00 70.36 ? 75 HIS A CG 1 ATOM 503 N ND1 . HIS A 1 74 ? 22.747 -12.478 15.766 1.00 73.83 ? 75 HIS A ND1 1 ATOM 504 C CD2 . HIS A 1 74 ? 22.316 -10.993 14.230 1.00 72.53 ? 75 HIS A CD2 1 ATOM 505 C CE1 . HIS A 1 74 ? 23.852 -12.319 15.062 1.00 71.15 ? 75 HIS A CE1 1 ATOM 506 N NE2 . HIS A 1 74 ? 23.618 -11.423 14.123 1.00 72.08 ? 75 HIS A NE2 1 ATOM 507 N N . CYS A 1 75 ? 20.337 -15.008 14.870 1.00 67.43 ? 76 CYS A N 1 ATOM 508 C CA . CYS A 1 75 ? 20.298 -16.010 13.814 1.00 68.57 ? 76 CYS A CA 1 ATOM 509 C C . CYS A 1 75 ? 19.234 -17.113 13.972 1.00 68.57 ? 76 CYS A C 1 ATOM 510 O O . CYS A 1 75 ? 19.258 -18.101 13.251 1.00 66.39 ? 76 CYS A O 1 ATOM 511 C CB . CYS A 1 75 ? 21.679 -16.646 13.700 1.00 70.82 ? 76 CYS A CB 1 ATOM 512 S SG . CYS A 1 75 ? 22.992 -15.425 13.458 1.00 82.60 ? 76 CYS A SG 1 ATOM 513 N N . ASP A 1 76 ? 18.288 -16.942 14.882 1.00 70.45 ? 77 ASP A N 1 ATOM 514 C CA . ASP A 1 76 ? 17.236 -17.941 15.069 1.00 71.97 ? 77 ASP A CA 1 ATOM 515 C C . ASP A 1 76 ? 16.474 -18.258 13.797 1.00 70.41 ? 77 ASP A C 1 ATOM 516 O O . ASP A 1 76 ? 16.090 -19.405 13.597 1.00 73.99 ? 77 ASP A O 1 ATOM 517 C CB . ASP A 1 76 ? 16.239 -17.507 16.153 1.00 73.87 ? 77 ASP A CB 1 ATOM 518 C CG . ASP A 1 76 ? 16.786 -17.699 17.575 1.00 74.33 ? 77 ASP A CG 1 ATOM 519 O OD1 . ASP A 1 76 ? 17.910 -18.258 17.769 1.00 71.27 ? 77 ASP A OD1 1 ATOM 520 O OD2 . ASP A 1 76 ? 16.074 -17.264 18.504 1.00 77.81 ? 77 ASP A OD2 1 ATOM 521 N N . ALA A 1 77 ? 16.270 -17.273 12.925 1.00 67.87 ? 78 ALA A N 1 ATOM 522 C CA . ALA A 1 77 ? 15.573 -17.529 11.651 1.00 64.41 ? 78 ALA A CA 1 ATOM 523 C C . ALA A 1 77 ? 16.259 -18.579 10.744 1.00 64.26 ? 78 ALA A C 1 ATOM 524 O O . ALA A 1 77 ? 15.627 -19.108 9.827 1.00 64.15 ? 78 ALA A O 1 ATOM 525 C CB . ALA A 1 77 ? 15.358 -16.234 10.895 1.00 62.81 ? 78 ALA A CB 1 ATOM 526 N N . PHE A 1 78 ? 17.533 -18.889 11.003 1.00 62.48 ? 79 PHE A N 1 ATOM 527 C CA . PHE A 1 78 ? 18.279 -19.826 10.167 1.00 61.67 ? 79 PHE A CA 1 ATOM 528 C C . PHE A 1 78 ? 18.257 -21.257 10.638 1.00 61.90 ? 79 PHE A C 1 ATOM 529 O O . PHE A 1 78 ? 18.653 -22.147 9.880 1.00 59.20 ? 79 PHE A O 1 ATOM 530 C CB . PHE A 1 78 ? 19.735 -19.383 10.011 1.00 63.11 ? 79 PHE A CB 1 ATOM 531 C CG . PHE A 1 78 ? 19.870 -18.130 9.230 1.00 69.39 ? 79 PHE A CG 1 ATOM 532 C CD1 . PHE A 1 78 ? 19.588 -18.127 7.877 1.00 72.77 ? 79 PHE A CD1 1 ATOM 533 C CD2 . PHE A 1 78 ? 20.212 -16.945 9.846 1.00 72.61 ? 79 PHE A CD2 1 ATOM 534 C CE1 . PHE A 1 78 ? 19.671 -16.961 7.139 1.00 78.14 ? 79 PHE A CE1 1 ATOM 535 C CE2 . PHE A 1 78 ? 20.298 -15.780 9.121 1.00 76.75 ? 79 PHE A CE2 1 ATOM 536 C CZ . PHE A 1 78 ? 20.030 -15.785 7.763 1.00 79.30 ? 79 PHE A CZ 1 ATOM 537 N N . GLN A 1 79 ? 17.835 -21.507 11.875 1.00 65.68 ? 80 GLN A N 1 ATOM 538 C CA . GLN A 1 79 ? 17.685 -22.896 12.300 1.00 68.31 ? 80 GLN A CA 1 ATOM 539 C C . GLN A 1 79 ? 16.685 -23.449 11.291 1.00 71.68 ? 80 GLN A C 1 ATOM 540 O O . GLN A 1 79 ? 15.978 -22.678 10.602 1.00 83.57 ? 80 GLN A O 1 ATOM 541 C CB . GLN A 1 79 ? 17.173 -22.995 13.736 1.00 68.40 ? 80 GLN A CB 1 ATOM 542 C CG . GLN A 1 79 ? 15.677 -22.765 13.879 1.00 68.62 ? 80 GLN A CG 1 ATOM 543 C CD . GLN A 1 79 ? 15.185 -22.844 15.308 1.00 71.18 ? 80 GLN A CD 1 ATOM 544 O OE1 . GLN A 1 79 ? 14.419 -22.003 15.745 1.00 70.35 ? 80 GLN A OE1 1 ATOM 545 N NE2 . GLN A 1 79 ? 15.616 -23.865 16.037 1.00 72.67 ? 80 GLN A NE2 1 ATOM 546 N N . TYR A 1 80 ? 16.624 -24.754 11.148 1.00 63.82 ? 81 TYR A N 1 ATOM 547 C CA . TYR A 1 80 ? 15.763 -25.325 10.091 1.00 61.26 ? 81 TYR A CA 1 ATOM 548 C C . TYR A 1 80 ? 16.244 -25.173 8.650 1.00 57.54 ? 81 TYR A C 1 ATOM 549 O O . TYR A 1 80 ? 15.771 -25.911 7.788 1.00 61.57 ? 81 TYR A O 1 ATOM 550 C CB . TYR A 1 80 ? 14.316 -24.823 10.180 1.00 61.63 ? 81 TYR A CB 1 ATOM 551 C CG . TYR A 1 80 ? 13.721 -24.918 11.562 1.00 65.78 ? 81 TYR A CG 1 ATOM 552 C CD1 . TYR A 1 80 ? 13.977 -26.016 12.387 1.00 66.10 ? 81 TYR A CD1 1 ATOM 553 C CD2 . TYR A 1 80 ? 12.893 -23.915 12.055 1.00 67.55 ? 81 TYR A CD2 1 ATOM 554 C CE1 . TYR A 1 80 ? 13.431 -26.091 13.656 1.00 64.64 ? 81 TYR A CE1 1 ATOM 555 C CE2 . TYR A 1 80 ? 12.354 -23.988 13.328 1.00 65.62 ? 81 TYR A CE2 1 ATOM 556 C CZ . TYR A 1 80 ? 12.633 -25.077 14.116 1.00 63.46 ? 81 TYR A CZ 1 ATOM 557 O OH . TYR A 1 80 ? 12.101 -25.162 15.362 1.00 65.43 ? 81 TYR A OH 1 ATOM 558 N N . GLU A 1 81 ? 17.165 -24.258 8.353 1.00 57.93 ? 82 GLU A N 1 ATOM 559 C CA . GLU A 1 81 ? 17.515 -24.001 6.934 1.00 59.81 ? 82 GLU A CA 1 ATOM 560 C C . GLU A 1 81 ? 18.575 -24.899 6.320 1.00 57.98 ? 82 GLU A C 1 ATOM 561 O O . GLU A 1 81 ? 19.470 -25.422 6.982 1.00 59.00 ? 82 GLU A O 1 ATOM 562 C CB . GLU A 1 81 ? 17.930 -22.557 6.714 1.00 59.29 ? 82 GLU A CB 1 ATOM 563 C CG . GLU A 1 81 ? 16.842 -21.560 7.056 1.00 64.26 ? 82 GLU A CG 1 ATOM 564 C CD . GLU A 1 81 ? 15.530 -21.798 6.325 1.00 67.24 ? 82 GLU A CD 1 ATOM 565 O OE1 . GLU A 1 81 ? 15.509 -21.768 5.068 1.00 65.48 ? 82 GLU A OE1 1 ATOM 566 O OE2 . GLU A 1 81 ? 14.510 -22.004 7.029 1.00 69.85 ? 82 GLU A OE2 1 ATOM 567 N N . SER A 1 82 ? 18.459 -25.058 5.015 1.00 59.56 ? 83 SER A N 1 ATOM 568 C CA . SER A 1 82 ? 19.490 -25.735 4.233 1.00 56.65 ? 83 SER A CA 1 ATOM 569 C C . SER A 1 82 ? 19.676 -24.985 2.939 1.00 54.47 ? 83 SER A C 1 ATOM 570 O O . SER A 1 82 ? 18.863 -24.146 2.585 1.00 55.81 ? 83 SER A O 1 ATOM 571 C CB . SER A 1 82 ? 19.108 -27.187 3.971 1.00 54.60 ? 83 SER A CB 1 ATOM 572 O OG . SER A 1 82 ? 17.776 -27.274 3.519 1.00 52.49 ? 83 SER A OG 1 ATOM 573 N N . TRP A 1 83 ? 20.753 -25.286 2.232 1.00 56.15 ? 84 TRP A N 1 ATOM 574 C CA . TRP A 1 83 ? 21.134 -24.481 1.086 1.00 55.24 ? 84 TRP A CA 1 ATOM 575 C C . TRP A 1 83 ? 22.027 -25.248 0.141 1.00 54.20 ? 84 TRP A C 1 ATOM 576 O O . TRP A 1 83 ? 22.715 -26.180 0.559 1.00 48.71 ? 84 TRP A O 1 ATOM 577 C CB . TRP A 1 83 ? 21.905 -23.266 1.578 1.00 54.61 ? 84 TRP A CB 1 ATOM 578 C CG . TRP A 1 83 ? 23.161 -23.654 2.259 1.00 51.86 ? 84 TRP A CG 1 ATOM 579 C CD1 . TRP A 1 83 ? 24.364 -23.877 1.681 1.00 50.88 ? 84 TRP A CD1 1 ATOM 580 C CD2 . TRP A 1 83 ? 23.341 -23.861 3.658 1.00 54.30 ? 84 TRP A CD2 1 ATOM 581 N NE1 . TRP A 1 83 ? 25.293 -24.208 2.633 1.00 53.54 ? 84 TRP A NE1 1 ATOM 582 C CE2 . TRP A 1 83 ? 24.687 -24.209 3.858 1.00 52.30 ? 84 TRP A CE2 1 ATOM 583 C CE3 . TRP A 1 83 ? 22.495 -23.782 4.765 1.00 54.84 ? 84 TRP A CE3 1 ATOM 584 C CZ2 . TRP A 1 83 ? 25.202 -24.502 5.112 1.00 54.82 ? 84 TRP A CZ2 1 ATOM 585 C CZ3 . TRP A 1 83 ? 23.015 -24.071 6.020 1.00 56.09 ? 84 TRP A CZ3 1 ATOM 586 C CH2 . TRP A 1 83 ? 24.354 -24.421 6.183 1.00 53.73 ? 84 TRP A CH2 1 ATOM 587 N N . ASP A 1 84 ? 22.017 -24.836 -1.128 1.00 55.23 ? 85 ASP A N 1 ATOM 588 C CA . ASP A 1 84 ? 23.080 -25.206 -2.051 1.00 52.99 ? 85 ASP A CA 1 ATOM 589 C C . ASP A 1 84 ? 24.226 -24.231 -1.795 1.00 52.38 ? 85 ASP A C 1 ATOM 590 O O . ASP A 1 84 ? 25.356 -24.634 -1.615 1.00 54.49 ? 85 ASP A O 1 ATOM 591 C CB . ASP A 1 84 ? 22.610 -25.131 -3.493 1.00 55.51 ? 85 ASP A CB 1 ATOM 592 C CG . ASP A 1 84 ? 21.496 -26.128 -3.809 1.00 60.52 ? 85 ASP A CG 1 ATOM 593 O OD1 . ASP A 1 84 ? 21.464 -27.217 -3.194 1.00 64.37 ? 85 ASP A OD1 1 ATOM 594 O OD2 . ASP A 1 84 ? 20.652 -25.820 -4.692 1.00 57.35 ? 85 ASP A OD2 1 ATOM 595 N N . LEU A 1 85 ? 23.936 -22.943 -1.712 1.00 54.24 ? 86 LEU A N 1 ATOM 596 C CA . LEU A 1 85 ? 24.995 -21.960 -1.484 1.00 53.40 ? 86 LEU A CA 1 ATOM 597 C C . LEU A 1 85 ? 24.586 -20.940 -0.424 1.00 54.03 ? 86 LEU A C 1 ATOM 598 O O . LEU A 1 85 ? 23.563 -20.271 -0.574 1.00 62.28 ? 86 LEU A O 1 ATOM 599 C CB . LEU A 1 85 ? 25.326 -21.236 -2.791 1.00 52.18 ? 86 LEU A CB 1 ATOM 600 C CG . LEU A 1 85 ? 26.584 -20.372 -2.682 1.00 53.55 ? 86 LEU A CG 1 ATOM 601 C CD1 . LEU A 1 85 ? 27.834 -21.230 -2.561 1.00 54.57 ? 86 LEU A CD1 1 ATOM 602 C CD2 . LEU A 1 85 ? 26.708 -19.442 -3.870 1.00 54.09 ? 86 LEU A CD2 1 ATOM 603 N N . PHE A 1 86 ? 25.381 -20.831 0.637 1.00 52.38 ? 87 PHE A N 1 ATOM 604 C CA . PHE A 1 86 ? 25.145 -19.859 1.706 1.00 55.03 ? 87 PHE A CA 1 ATOM 605 C C . PHE A 1 86 ? 25.961 -18.617 1.414 1.00 56.56 ? 87 PHE A C 1 ATOM 606 O O . PHE A 1 86 ? 27.186 -18.709 1.195 1.00 54.78 ? 87 PHE A O 1 ATOM 607 C CB . PHE A 1 86 ? 25.571 -20.433 3.053 1.00 55.01 ? 87 PHE A CB 1 ATOM 608 C CG . PHE A 1 86 ? 25.134 -19.623 4.250 1.00 56.07 ? 87 PHE A CG 1 ATOM 609 C CD1 . PHE A 1 86 ? 25.745 -18.435 4.570 1.00 59.88 ? 87 PHE A CD1 1 ATOM 610 C CD2 . PHE A 1 86 ? 24.149 -20.092 5.090 1.00 59.76 ? 87 PHE A CD2 1 ATOM 611 C CE1 . PHE A 1 86 ? 25.365 -17.715 5.683 1.00 57.83 ? 87 PHE A CE1 1 ATOM 612 C CE2 . PHE A 1 86 ? 23.763 -19.388 6.202 1.00 55.49 ? 87 PHE A CE2 1 ATOM 613 C CZ . PHE A 1 86 ? 24.369 -18.196 6.489 1.00 59.13 ? 87 PHE A CZ 1 ATOM 614 N N . ILE A 1 87 ? 25.291 -17.463 1.435 1.00 54.45 ? 88 ILE A N 1 ATOM 615 C CA . ILE A 1 87 ? 25.939 -16.188 1.158 1.00 50.74 ? 88 ILE A CA 1 ATOM 616 C C . ILE A 1 87 ? 26.231 -15.426 2.452 1.00 53.10 ? 88 ILE A C 1 ATOM 617 O O . ILE A 1 87 ? 25.316 -15.039 3.170 1.00 54.32 ? 88 ILE A O 1 ATOM 618 C CB . ILE A 1 87 ? 25.063 -15.349 0.229 1.00 49.58 ? 88 ILE A CB 1 ATOM 619 C CG1 . ILE A 1 87 ? 24.729 -16.120 -1.050 1.00 51.42 ? 88 ILE A CG1 1 ATOM 620 C CG2 . ILE A 1 87 ? 25.735 -14.050 -0.149 1.00 49.95 ? 88 ILE A CG2 1 ATOM 621 C CD1 . ILE A 1 87 ? 25.906 -16.344 -1.966 1.00 50.58 ? 88 ILE A CD1 1 ATOM 622 N N . GLU A 1 88 ? 27.514 -15.228 2.739 1.00 54.11 ? 89 GLU A N 1 ATOM 623 C CA . GLU A 1 88 ? 27.973 -14.394 3.860 1.00 60.19 ? 89 GLU A CA 1 ATOM 624 C C . GLU A 1 88 ? 28.299 -12.946 3.437 1.00 58.91 ? 89 GLU A C 1 ATOM 625 O O . GLU A 1 88 ? 29.052 -12.736 2.484 1.00 62.50 ? 89 GLU A O 1 ATOM 626 C CB . GLU A 1 88 ? 29.219 -15.006 4.514 1.00 60.88 ? 89 GLU A CB 1 ATOM 627 C CG . GLU A 1 88 ? 28.961 -16.253 5.349 1.00 63.14 ? 89 GLU A CG 1 ATOM 628 C CD . GLU A 1 88 ? 30.196 -16.731 6.102 1.00 62.97 ? 89 GLU A CD 1 ATOM 629 O OE1 . GLU A 1 88 ? 31.347 -16.394 5.725 1.00 66.99 ? 89 GLU A OE1 1 ATOM 630 O OE2 . GLU A 1 88 ? 30.022 -17.454 7.089 1.00 66.55 ? 89 GLU A OE2 1 ATOM 631 N N . ARG A 1 89 ? 27.765 -11.977 4.182 1.00 56.58 ? 90 ARG A N 1 ATOM 632 C CA . ARG A 1 89 ? 27.942 -10.555 3.920 1.00 60.10 ? 90 ARG A CA 1 ATOM 633 C C . ARG A 1 89 ? 29.008 -9.924 4.813 1.00 62.31 ? 90 ARG A C 1 ATOM 634 O O . ARG A 1 89 ? 29.201 -10.346 5.947 1.00 66.15 ? 90 ARG A O 1 ATOM 635 C CB . ARG A 1 89 ? 26.627 -9.828 4.187 1.00 65.67 ? 90 ARG A CB 1 ATOM 636 C CG . ARG A 1 89 ? 25.392 -10.472 3.561 1.00 66.01 ? 90 ARG A CG 1 ATOM 637 C CD . ARG A 1 89 ? 25.594 -10.698 2.079 1.00 64.27 ? 90 ARG A CD 1 ATOM 638 N NE . ARG A 1 89 ? 24.341 -10.821 1.345 1.00 64.16 ? 90 ARG A NE 1 ATOM 639 C CZ . ARG A 1 89 ? 24.222 -10.663 0.025 1.00 62.34 ? 90 ARG A CZ 1 ATOM 640 N NH1 . ARG A 1 89 ? 25.270 -10.366 -0.723 1.00 58.79 ? 90 ARG A NH1 1 ATOM 641 N NH2 . ARG A 1 89 ? 23.042 -10.788 -0.555 1.00 63.45 ? 90 ARG A NH2 1 ATOM 642 N N . SER A 1 90 ? 29.685 -8.905 4.297 1.00 64.54 ? 91 SER A N 1 ATOM 643 C CA . SER A 1 90 ? 30.675 -8.132 5.050 1.00 67.91 ? 91 SER A CA 1 ATOM 644 C C . SER A 1 90 ? 30.178 -7.600 6.365 1.00 67.41 ? 91 SER A C 1 ATOM 645 O O . SER A 1 90 ? 30.917 -7.578 7.322 1.00 71.76 ? 91 SER A O 1 ATOM 646 C CB . SER A 1 90 ? 31.098 -6.900 4.251 1.00 73.63 ? 91 SER A CB 1 ATOM 647 O OG . SER A 1 90 ? 31.994 -7.287 3.253 1.00 82.99 ? 91 SER A OG 1 ATOM 648 N N . ASN A 1 91 ? 28.945 -7.111 6.389 1.00 68.83 ? 92 ASN A N 1 ATOM 649 C CA . ASN A 1 91 ? 28.404 -6.431 7.570 1.00 72.45 ? 92 ASN A CA 1 ATOM 650 C C . ASN A 1 91 ? 27.756 -7.383 8.588 1.00 69.54 ? 92 ASN A C 1 ATOM 651 O O . ASN A 1 91 ? 27.004 -6.956 9.446 1.00 64.96 ? 92 ASN A O 1 ATOM 652 C CB . ASN A 1 91 ? 27.404 -5.360 7.139 1.00 75.56 ? 92 ASN A CB 1 ATOM 653 C CG . ASN A 1 91 ? 26.229 -5.934 6.363 1.00 79.38 ? 92 ASN A CG 1 ATOM 654 O OD1 . ASN A 1 91 ? 26.127 -7.158 6.141 1.00 77.90 ? 92 ASN A OD1 1 ATOM 655 N ND2 . ASN A 1 91 ? 25.339 -5.050 5.926 1.00 78.64 ? 92 ASN A ND2 1 ATOM 656 N N . ALA A 1 92 ? 28.046 -8.675 8.486 1.00 70.09 ? 93 ALA A N 1 ATOM 657 C CA . ALA A 1 92 ? 27.555 -9.639 9.462 1.00 70.78 ? 93 ALA A CA 1 ATOM 658 C C . ALA A 1 92 ? 28.257 -9.389 10.774 1.00 68.50 ? 93 ALA A C 1 ATOM 659 O O . ALA A 1 92 ? 29.404 -8.987 10.789 1.00 66.93 ? 93 ALA A O 1 ATOM 660 C CB . ALA A 1 92 ? 27.808 -11.066 8.990 1.00 68.95 ? 93 ALA A CB 1 ATOM 661 N N . PHE A 1 93 ? 27.557 -9.624 11.872 1.00 70.10 ? 94 PHE A N 1 ATOM 662 C CA . PHE A 1 93 ? 28.130 -9.433 13.194 1.00 71.79 ? 94 PHE A CA 1 ATOM 663 C C . PHE A 1 93 ? 27.688 -10.565 14.103 1.00 74.01 ? 94 PHE A C 1 ATOM 664 O O . PHE A 1 93 ? 26.668 -11.218 13.866 1.00 72.73 ? 94 PHE A O 1 ATOM 665 C CB . PHE A 1 93 ? 27.729 -8.082 13.782 1.00 70.01 ? 94 PHE A CB 1 ATOM 666 C CG . PHE A 1 93 ? 26.254 -7.857 13.816 1.00 74.65 ? 94 PHE A CG 1 ATOM 667 C CD1 . PHE A 1 93 ? 25.490 -8.302 14.890 1.00 80.18 ? 94 PHE A CD1 1 ATOM 668 C CD2 . PHE A 1 93 ? 25.612 -7.220 12.768 1.00 75.89 ? 94 PHE A CD2 1 ATOM 669 C CE1 . PHE A 1 93 ? 24.113 -8.105 14.920 1.00 79.72 ? 94 PHE A CE1 1 ATOM 670 C CE2 . PHE A 1 93 ? 24.235 -7.022 12.792 1.00 78.15 ? 94 PHE A CE2 1 ATOM 671 C CZ . PHE A 1 93 ? 23.485 -7.463 13.869 1.00 79.36 ? 94 PHE A CZ 1 ATOM 672 N N . SER A 1 94 ? 28.510 -10.820 15.113 1.00 76.48 ? 95 SER A N 1 ATOM 673 C CA . SER A 1 94 ? 28.150 -11.697 16.218 1.00 75.70 ? 95 SER A CA 1 ATOM 674 C C . SER A 1 94 ? 27.440 -10.850 17.278 1.00 74.97 ? 95 SER A C 1 ATOM 675 O O . SER A 1 94 ? 27.691 -9.646 17.386 1.00 81.23 ? 95 SER A O 1 ATOM 676 C CB . SER A 1 94 ? 29.401 -12.350 16.809 1.00 74.45 ? 95 SER A CB 1 ATOM 677 O OG . SER A 1 94 ? 29.918 -13.326 15.932 1.00 68.60 ? 95 SER A OG 1 ATOM 678 N N . ASN A 1 95 ? 26.542 -11.461 18.041 1.00 71.67 ? 96 ASN A N 1 ATOM 679 C CA . ASN A 1 95 ? 25.831 -10.728 19.081 1.00 72.78 ? 96 ASN A CA 1 ATOM 680 C C . ASN A 1 95 ? 25.490 -11.596 20.278 1.00 71.07 ? 96 ASN A C 1 ATOM 681 O O . ASN A 1 95 ? 24.524 -11.328 20.976 1.00 75.59 ? 96 ASN A O 1 ATOM 682 C CB . ASN A 1 95 ? 24.561 -10.098 18.481 1.00 74.20 ? 96 ASN A CB 1 ATOM 683 C CG . ASN A 1 95 ? 24.046 -8.897 19.275 1.00 75.84 ? 96 ASN A CG 1 ATOM 684 O OD1 . ASN A 1 95 ? 22.894 -8.521 19.142 1.00 77.38 ? 96 ASN A OD1 1 ATOM 685 N ND2 . ASN A 1 95 ? 24.893 -8.293 20.085 1.00 77.09 ? 96 ASN A ND2 1 ATOM 686 N N . CYS A 1 96 ? 26.288 -12.632 20.516 1.00 71.64 ? 97 CYS A N 1 ATOM 687 C CA . CYS A 1 96 ? 26.108 -13.516 21.655 1.00 72.23 ? 97 CYS A CA 1 ATOM 688 C C . CYS A 1 96 ? 27.398 -13.452 22.500 1.00 72.40 ? 97 CYS A C 1 ATOM 689 O O . CYS A 1 96 ? 28.043 -12.409 22.535 1.00 72.24 ? 97 CYS A O 1 ATOM 690 C CB . CYS A 1 96 ? 25.741 -14.921 21.173 1.00 71.60 ? 97 CYS A CB 1 ATOM 691 S SG . CYS A 1 96 ? 25.228 -16.078 22.475 1.00 81.20 ? 97 CYS A SG 1 ATOM 692 N N . TYR A 1 97 ? 27.761 -14.525 23.201 1.00 74.43 ? 98 TYR A N 1 ATOM 693 C CA . TYR A 1 97 ? 28.926 -14.509 24.113 1.00 73.72 ? 98 TYR A CA 1 ATOM 694 C C . TYR A 1 97 ? 30.190 -14.586 23.279 1.00 68.75 ? 98 TYR A C 1 ATOM 695 O O . TYR A 1 97 ? 30.251 -15.386 22.352 1.00 71.12 ? 98 TYR A O 1 ATOM 696 C CB . TYR A 1 97 ? 28.868 -15.694 25.094 1.00 75.64 ? 98 TYR A CB 1 ATOM 697 C CG . TYR A 1 97 ? 29.713 -15.544 26.346 1.00 78.89 ? 98 TYR A CG 1 ATOM 698 C CD1 . TYR A 1 97 ? 31.037 -15.945 26.368 1.00 79.84 ? 98 TYR A CD1 1 ATOM 699 C CD2 . TYR A 1 97 ? 29.179 -15.016 27.523 1.00 86.42 ? 98 TYR A CD2 1 ATOM 700 C CE1 . TYR A 1 97 ? 31.815 -15.813 27.513 1.00 78.56 ? 98 TYR A CE1 1 ATOM 701 C CE2 . TYR A 1 97 ? 29.953 -14.886 28.673 1.00 83.00 ? 98 TYR A CE2 1 ATOM 702 C CZ . TYR A 1 97 ? 31.271 -15.282 28.656 1.00 78.15 ? 98 TYR A CZ 1 ATOM 703 O OH . TYR A 1 97 ? 32.046 -15.153 29.773 1.00 76.47 ? 98 TYR A OH 1 ATOM 704 N N . PRO A 1 98 ? 31.200 -13.760 23.589 1.00 64.78 ? 99 PRO A N 1 ATOM 705 C CA . PRO A 1 98 ? 32.392 -13.734 22.754 1.00 65.33 ? 99 PRO A CA 1 ATOM 706 C C . PRO A 1 98 ? 33.112 -15.090 22.733 1.00 67.87 ? 99 PRO A C 1 ATOM 707 O O . PRO A 1 98 ? 33.291 -15.717 23.782 1.00 71.61 ? 99 PRO A O 1 ATOM 708 C CB . PRO A 1 98 ? 33.248 -12.656 23.406 1.00 65.36 ? 99 PRO A CB 1 ATOM 709 C CG . PRO A 1 98 ? 32.829 -12.667 24.829 1.00 66.01 ? 99 PRO A CG 1 ATOM 710 C CD . PRO A 1 98 ? 31.356 -12.906 24.773 1.00 66.67 ? 99 PRO A CD 1 ATOM 711 N N . TYR A 1 99 ? 33.488 -15.549 21.542 1.00 68.08 ? 100 TYR A N 1 ATOM 712 C CA . TYR A 1 99 ? 34.057 -16.885 21.408 1.00 67.79 ? 100 TYR A CA 1 ATOM 713 C C . TYR A 1 99 ? 35.241 -16.917 20.482 1.00 66.38 ? 100 TYR A C 1 ATOM 714 O O . TYR A 1 99 ? 35.616 -15.908 19.914 1.00 69.16 ? 100 TYR A O 1 ATOM 715 C CB . TYR A 1 99 ? 32.998 -17.875 20.944 1.00 65.97 ? 100 TYR A CB 1 ATOM 716 C CG . TYR A 1 99 ? 32.451 -17.625 19.573 1.00 65.48 ? 100 TYR A CG 1 ATOM 717 C CD1 . TYR A 1 99 ? 31.388 -16.745 19.376 1.00 69.35 ? 100 TYR A CD1 1 ATOM 718 C CD2 . TYR A 1 99 ? 32.968 -18.278 18.475 1.00 65.50 ? 100 TYR A CD2 1 ATOM 719 C CE1 . TYR A 1 99 ? 30.866 -16.521 18.110 1.00 67.52 ? 100 TYR A CE1 1 ATOM 720 C CE2 . TYR A 1 99 ? 32.456 -18.060 17.203 1.00 64.45 ? 100 TYR A CE2 1 ATOM 721 C CZ . TYR A 1 99 ? 31.408 -17.188 17.039 1.00 64.98 ? 100 TYR A CZ 1 ATOM 722 O OH . TYR A 1 99 ? 30.901 -16.988 15.802 1.00 68.20 ? 100 TYR A OH 1 ATOM 723 N N . ASP A 1 100 ? 35.867 -18.078 20.385 1.00 69.93 ? 101 ASP A N 1 ATOM 724 C CA . ASP A 1 100 ? 36.884 -18.318 19.361 1.00 74.03 ? 101 ASP A CA 1 ATOM 725 C C . ASP A 1 100 ? 36.836 -19.784 18.985 1.00 66.63 ? 101 ASP A C 1 ATOM 726 O O . ASP A 1 100 ? 36.440 -20.607 19.788 1.00 68.71 ? 101 ASP A O 1 ATOM 727 C CB . ASP A 1 100 ? 38.270 -17.939 19.871 1.00 78.35 ? 101 ASP A CB 1 ATOM 728 C CG . ASP A 1 100 ? 38.865 -19.001 20.756 1.00 85.67 ? 101 ASP A CG 1 ATOM 729 O OD1 . ASP A 1 100 ? 38.436 -19.116 21.918 1.00 81.60 ? 101 ASP A OD1 1 ATOM 730 O OD2 . ASP A 1 100 ? 39.750 -19.741 20.275 1.00 96.65 ? 101 ASP A OD2 1 ATOM 731 N N . ILE A 1 101 ? 37.210 -20.106 17.760 1.00 65.71 ? 102 ILE A N 1 ATOM 732 C CA . ILE A 1 101 ? 37.328 -21.502 17.353 1.00 63.82 ? 102 ILE A CA 1 ATOM 733 C C . ILE A 1 101 ? 38.699 -21.806 16.765 1.00 65.09 ? 102 ILE A C 1 ATOM 734 O O . ILE A 1 101 ? 39.068 -21.310 15.701 1.00 63.40 ? 102 ILE A O 1 ATOM 735 C CB . ILE A 1 101 ? 36.286 -21.883 16.302 1.00 64.37 ? 102 ILE A CB 1 ATOM 736 C CG1 . ILE A 1 101 ? 34.936 -21.199 16.594 1.00 65.23 ? 102 ILE A CG1 1 ATOM 737 C CG2 . ILE A 1 101 ? 36.157 -23.398 16.238 1.00 65.88 ? 102 ILE A CG2 1 ATOM 738 C CD1 . ILE A 1 101 ? 33.759 -21.846 15.882 1.00 62.16 ? 102 ILE A CD1 1 ATOM 739 N N . PRO A 1 102 ? 39.469 -22.635 17.455 1.00 68.78 ? 103 PRO A N 1 ATOM 740 C CA . PRO A 1 102 ? 40.672 -23.133 16.820 1.00 68.80 ? 103 PRO A CA 1 ATOM 741 C C . PRO A 1 102 ? 40.308 -23.855 15.530 1.00 66.74 ? 103 PRO A C 1 ATOM 742 O O . PRO A 1 102 ? 39.455 -24.747 15.532 1.00 60.81 ? 103 PRO A O 1 ATOM 743 C CB . PRO A 1 102 ? 41.231 -24.112 17.853 1.00 66.98 ? 103 PRO A CB 1 ATOM 744 C CG . PRO A 1 102 ? 40.691 -23.633 19.133 1.00 68.33 ? 103 PRO A CG 1 ATOM 745 C CD . PRO A 1 102 ? 39.312 -23.150 18.818 1.00 68.02 ? 103 PRO A CD 1 ATOM 746 N N . ASP A 1 103 ? 40.915 -23.444 14.427 1.00 66.48 ? 104 ASP A N 1 ATOM 747 C CA . ASP A 1 103 ? 40.588 -24.048 13.145 1.00 68.26 ? 104 ASP A CA 1 ATOM 748 C C . ASP A 1 103 ? 39.140 -23.732 12.741 1.00 64.85 ? 104 ASP A C 1 ATOM 749 O O . ASP A 1 103 ? 38.411 -24.578 12.206 1.00 68.68 ? 104 ASP A O 1 ATOM 750 C CB . ASP A 1 103 ? 40.861 -25.559 13.177 1.00 73.52 ? 104 ASP A CB 1 ATOM 751 C CG . ASP A 1 103 ? 41.168 -26.143 11.791 1.00 86.65 ? 104 ASP A CG 1 ATOM 752 O OD1 . ASP A 1 103 ? 41.529 -25.404 10.816 1.00 82.33 ? 104 ASP A OD1 1 ATOM 753 O OD2 . ASP A 1 103 ? 41.037 -27.383 11.689 1.00 101.68 ? 104 ASP A OD2 1 ATOM 754 N N . TYR A 1 104 ? 38.754 -22.483 12.987 1.00 61.87 ? 105 TYR A N 1 ATOM 755 C CA . TYR A 1 104 ? 37.472 -21.927 12.554 1.00 60.78 ? 105 TYR A CA 1 ATOM 756 C C . TYR A 1 104 ? 37.165 -22.299 11.118 1.00 57.46 ? 105 TYR A C 1 ATOM 757 O O . TYR A 1 104 ? 36.115 -22.872 10.808 1.00 57.38 ? 105 TYR A O 1 ATOM 758 C CB . TYR A 1 104 ? 37.516 -20.398 12.697 1.00 61.05 ? 105 TYR A CB 1 ATOM 759 C CG . TYR A 1 104 ? 36.286 -19.644 12.246 1.00 58.70 ? 105 TYR A CG 1 ATOM 760 C CD1 . TYR A 1 104 ? 36.143 -19.226 10.934 1.00 58.11 ? 105 TYR A CD1 1 ATOM 761 C CD2 . TYR A 1 104 ? 35.282 -19.299 13.154 1.00 60.91 ? 105 TYR A CD2 1 ATOM 762 C CE1 . TYR A 1 104 ? 35.023 -18.504 10.533 1.00 58.91 ? 105 TYR A CE1 1 ATOM 763 C CE2 . TYR A 1 104 ? 34.157 -18.574 12.754 1.00 60.24 ? 105 TYR A CE2 1 ATOM 764 C CZ . TYR A 1 104 ? 34.038 -18.197 11.441 1.00 55.95 ? 105 TYR A CZ 1 ATOM 765 O OH . TYR A 1 104 ? 32.955 -17.498 11.046 1.00 58.84 ? 105 TYR A OH 1 ATOM 766 N N . ALA A 1 105 ? 38.110 -21.996 10.246 1.00 60.11 ? 106 ALA A N 1 ATOM 767 C CA . ALA A 1 105 ? 37.932 -22.219 8.813 1.00 58.55 ? 106 ALA A CA 1 ATOM 768 C C . ALA A 1 105 ? 37.515 -23.643 8.477 1.00 57.00 ? 106 ALA A C 1 ATOM 769 O O . ALA A 1 105 ? 36.657 -23.836 7.622 1.00 60.01 ? 106 ALA A O 1 ATOM 770 C CB . ALA A 1 105 ? 39.207 -21.871 8.074 1.00 57.28 ? 106 ALA A CB 1 ATOM 771 N N . SER A 1 106 ? 38.118 -24.633 9.131 1.00 56.84 ? 107 SER A N 1 ATOM 772 C CA . SER A 1 106 ? 37.802 -26.030 8.822 1.00 57.93 ? 107 SER A CA 1 ATOM 773 C C . SER A 1 106 ? 36.375 -26.380 9.202 1.00 58.92 ? 107 SER A C 1 ATOM 774 O O . SER A 1 106 ? 35.699 -27.159 8.523 1.00 55.00 ? 107 SER A O 1 ATOM 775 C CB . SER A 1 106 ? 38.751 -26.976 9.534 1.00 59.73 ? 107 SER A CB 1 ATOM 776 O OG . SER A 1 106 ? 40.017 -26.957 8.907 1.00 62.07 ? 107 SER A OG 1 ATOM 777 N N . LEU A 1 107 ? 35.913 -25.804 10.301 1.00 57.83 ? 108 LEU A N 1 ATOM 778 C CA . LEU A 1 107 ? 34.563 -26.075 10.742 1.00 57.62 ? 108 LEU A CA 1 ATOM 779 C C . LEU A 1 107 ? 33.581 -25.356 9.845 1.00 55.80 ? 108 LEU A C 1 ATOM 780 O O . LEU A 1 107 ? 32.564 -25.920 9.469 1.00 57.51 ? 108 LEU A O 1 ATOM 781 C CB . LEU A 1 107 ? 34.374 -25.679 12.208 1.00 57.22 ? 108 LEU A CB 1 ATOM 782 C CG . LEU A 1 107 ? 32.977 -25.835 12.801 1.00 55.01 ? 108 LEU A CG 1 ATOM 783 C CD1 . LEU A 1 107 ? 32.385 -27.211 12.543 1.00 54.31 ? 108 LEU A CD1 1 ATOM 784 C CD2 . LEU A 1 107 ? 33.023 -25.544 14.303 1.00 57.96 ? 108 LEU A CD2 1 ATOM 785 N N . ARG A 1 108 ? 33.898 -24.116 9.488 1.00 52.25 ? 109 ARG A N 1 ATOM 786 C CA . ARG A 1 108 ? 33.090 -23.391 8.512 1.00 52.57 ? 109 ARG A CA 1 ATOM 787 C C . ARG A 1 108 ? 32.949 -24.171 7.179 1.00 53.97 ? 109 ARG A C 1 ATOM 788 O O . ARG A 1 108 ? 31.888 -24.168 6.546 1.00 53.24 ? 109 ARG A O 1 ATOM 789 C CB . ARG A 1 108 ? 33.717 -22.027 8.256 1.00 51.89 ? 109 ARG A CB 1 ATOM 790 C CG . ARG A 1 108 ? 32.950 -21.181 7.263 1.00 53.41 ? 109 ARG A CG 1 ATOM 791 C CD . ARG A 1 108 ? 33.649 -19.852 7.094 1.00 53.44 ? 109 ARG A CD 1 ATOM 792 N NE . ARG A 1 108 ? 33.019 -19.056 6.050 1.00 53.65 ? 109 ARG A NE 1 ATOM 793 C CZ . ARG A 1 108 ? 33.327 -19.079 4.758 1.00 54.95 ? 109 ARG A CZ 1 ATOM 794 N NH1 . ARG A 1 108 ? 34.273 -19.852 4.263 1.00 52.63 ? 109 ARG A NH1 1 ATOM 795 N NH2 . ARG A 1 108 ? 32.659 -18.299 3.941 1.00 63.75 ? 109 ARG A NH2 1 ATOM 796 N N . SER A 1 109 ? 34.032 -24.822 6.774 1.00 49.34 ? 110 SER A N 1 ATOM 797 C CA . SER A 1 109 ? 34.052 -25.590 5.573 1.00 51.32 ? 110 SER A CA 1 ATOM 798 C C . SER A 1 109 ? 33.251 -26.861 5.743 1.00 51.73 ? 110 SER A C 1 ATOM 799 O O . SER A 1 109 ? 32.492 -27.240 4.865 1.00 51.91 ? 110 SER A O 1 ATOM 800 C CB . SER A 1 109 ? 35.477 -25.954 5.199 1.00 52.18 ? 110 SER A CB 1 ATOM 801 O OG . SER A 1 109 ? 35.447 -26.959 4.208 1.00 59.93 ? 110 SER A OG 1 ATOM 802 N N . ILE A 1 110 ? 33.425 -27.539 6.860 1.00 51.58 ? 111 ILE A N 1 ATOM 803 C CA . ILE A 1 110 ? 32.682 -28.765 7.066 1.00 51.69 ? 111 ILE A CA 1 ATOM 804 C C . ILE A 1 110 ? 31.179 -28.495 7.014 1.00 52.89 ? 111 ILE A C 1 ATOM 805 O O . ILE A 1 110 ? 30.444 -29.222 6.378 1.00 57.77 ? 111 ILE A O 1 ATOM 806 C CB . ILE A 1 110 ? 33.073 -29.438 8.386 1.00 54.78 ? 111 ILE A CB 1 ATOM 807 C CG1 . ILE A 1 110 ? 34.470 -30.041 8.268 1.00 52.43 ? 111 ILE A CG1 1 ATOM 808 C CG2 . ILE A 1 110 ? 32.104 -30.563 8.724 1.00 58.21 ? 111 ILE A CG2 1 ATOM 809 C CD1 . ILE A 1 110 ? 35.110 -30.330 9.608 1.00 53.65 ? 111 ILE A CD1 1 ATOM 810 N N . VAL A 1 111 ? 30.727 -27.426 7.646 1.00 55.62 ? 112 VAL A N 1 ATOM 811 C CA . VAL A 1 111 ? 29.297 -27.164 7.762 1.00 56.53 ? 112 VAL A CA 1 ATOM 812 C C . VAL A 1 111 ? 28.762 -26.649 6.435 1.00 54.95 ? 112 VAL A C 1 ATOM 813 O O . VAL A 1 111 ? 27.685 -27.036 5.987 1.00 54.85 ? 112 VAL A O 1 ATOM 814 C CB . VAL A 1 111 ? 29.021 -26.119 8.854 1.00 56.31 ? 112 VAL A CB 1 ATOM 815 C CG1 . VAL A 1 111 ? 27.540 -25.832 8.977 1.00 56.57 ? 112 VAL A CG1 1 ATOM 816 C CG2 . VAL A 1 111 ? 29.559 -26.597 10.184 1.00 61.75 ? 112 VAL A CG2 1 ATOM 817 N N . ALA A 1 112 ? 29.530 -25.771 5.817 1.00 53.81 ? 113 ALA A N 1 ATOM 818 C CA . ALA A 1 112 ? 29.154 -25.204 4.532 1.00 55.66 ? 113 ALA A CA 1 ATOM 819 C C . ALA A 1 112 ? 28.898 -26.326 3.562 1.00 53.44 ? 113 ALA A C 1 ATOM 820 O O . ALA A 1 112 ? 27.878 -26.384 2.881 1.00 51.83 ? 113 ALA A O 1 ATOM 821 C CB . ALA A 1 112 ? 30.267 -24.301 4.011 1.00 53.44 ? 113 ALA A CB 1 ATOM 822 N N . SER A 1 113 ? 29.852 -27.239 3.549 1.00 54.96 ? 114 SER A N 1 ATOM 823 C CA . SER A 1 113 ? 29.835 -28.410 2.685 1.00 55.46 ? 114 SER A CA 1 ATOM 824 C C . SER A 1 113 ? 28.622 -29.316 2.900 1.00 56.54 ? 114 SER A C 1 ATOM 825 O O . SER A 1 113 ? 28.100 -29.949 1.970 1.00 64.29 ? 114 SER A O 1 ATOM 826 C CB . SER A 1 113 ? 31.112 -29.185 2.942 1.00 53.04 ? 114 SER A CB 1 ATOM 827 O OG . SER A 1 113 ? 31.119 -30.333 2.174 1.00 60.57 ? 114 SER A OG 1 ATOM 828 N N . SER A 1 114 ? 28.181 -29.370 4.141 1.00 58.70 ? 115 SER A N 1 ATOM 829 C CA . SER A 1 114 ? 27.078 -30.203 4.531 1.00 59.33 ? 115 SER A CA 1 ATOM 830 C C . SER A 1 114 ? 25.728 -29.622 4.136 1.00 58.12 ? 115 SER A C 1 ATOM 831 O O . SER A 1 114 ? 24.755 -30.353 3.987 1.00 59.08 ? 115 SER A O 1 ATOM 832 C CB . SER A 1 114 ? 27.116 -30.372 6.033 1.00 63.95 ? 115 SER A CB 1 ATOM 833 O OG . SER A 1 114 ? 26.497 -31.589 6.356 1.00 74.27 ? 115 SER A OG 1 ATOM 834 N N . GLY A 1 115 ? 25.650 -28.305 4.018 1.00 56.80 ? 116 GLY A N 1 ATOM 835 C CA . GLY A 1 115 ? 24.476 -27.671 3.443 1.00 60.32 ? 116 GLY A CA 1 ATOM 836 C C . GLY A 1 115 ? 23.245 -27.511 4.334 1.00 63.12 ? 116 GLY A C 1 ATOM 837 O O . GLY A 1 115 ? 22.138 -27.265 3.824 1.00 58.56 ? 116 GLY A O 1 ATOM 838 N N . THR A 1 116 ? 23.423 -27.639 5.652 1.00 64.19 ? 117 THR A N 1 ATOM 839 C CA . THR A 1 116 ? 22.318 -27.445 6.617 1.00 62.75 ? 117 THR A CA 1 ATOM 840 C C . THR A 1 116 ? 22.849 -27.100 7.999 1.00 60.29 ? 117 THR A C 1 ATOM 841 O O . THR A 1 116 ? 23.962 -27.488 8.370 1.00 61.34 ? 117 THR A O 1 ATOM 842 C CB . THR A 1 116 ? 21.397 -28.698 6.731 1.00 61.34 ? 117 THR A CB 1 ATOM 843 O OG1 . THR A 1 116 ? 20.322 -28.449 7.642 1.00 58.21 ? 117 THR A OG1 1 ATOM 844 C CG2 . THR A 1 116 ? 22.151 -29.881 7.234 1.00 60.64 ? 117 THR A CG2 1 ATOM 845 N N . VAL A 1 117 ? 22.036 -26.359 8.740 1.00 60.05 ? 118 VAL A N 1 ATOM 846 C CA . VAL A 1 117 ? 22.216 -26.178 10.186 1.00 58.74 ? 118 VAL A CA 1 ATOM 847 C C . VAL A 1 117 ? 21.054 -26.815 10.965 1.00 58.04 ? 118 VAL A C 1 ATOM 848 O O . VAL A 1 117 ? 20.786 -26.432 12.081 1.00 56.03 ? 118 VAL A O 1 ATOM 849 C CB . VAL A 1 117 ? 22.334 -24.694 10.555 1.00 56.03 ? 118 VAL A CB 1 ATOM 850 C CG1 . VAL A 1 117 ? 23.635 -24.133 10.035 1.00 57.65 ? 118 VAL A CG1 1 ATOM 851 C CG2 . VAL A 1 117 ? 21.181 -23.898 9.976 1.00 57.70 ? 118 VAL A CG2 1 ATOM 852 N N . GLU A 1 118 ? 20.362 -27.779 10.367 1.00 61.43 ? 119 GLU A N 1 ATOM 853 C CA . GLU A 1 118 ? 19.277 -28.465 11.053 1.00 62.62 ? 119 GLU A CA 1 ATOM 854 C C . GLU A 1 118 ? 19.876 -29.330 12.114 1.00 60.83 ? 119 GLU A C 1 ATOM 855 O O . GLU A 1 118 ? 20.865 -29.990 11.866 1.00 60.26 ? 119 GLU A O 1 ATOM 856 C CB . GLU A 1 118 ? 18.465 -29.316 10.104 1.00 66.09 ? 119 GLU A CB 1 ATOM 857 C CG . GLU A 1 118 ? 17.601 -28.487 9.160 1.00 70.23 ? 119 GLU A CG 1 ATOM 858 C CD . GLU A 1 118 ? 17.164 -29.257 7.907 1.00 71.05 ? 119 GLU A CD 1 ATOM 859 O OE1 . GLU A 1 118 ? 17.978 -29.412 6.964 1.00 68.05 ? 119 GLU A OE1 1 ATOM 860 O OE2 . GLU A 1 118 ? 15.999 -29.712 7.876 1.00 69.18 ? 119 GLU A OE2 1 ATOM 861 N N . PHE A 1 119 ? 19.254 -29.300 13.293 1.00 62.80 ? 120 PHE A N 1 ATOM 862 C CA . PHE A 1 119 ? 19.834 -29.808 14.520 1.00 61.14 ? 120 PHE A CA 1 ATOM 863 C C . PHE A 1 119 ? 18.966 -30.896 15.051 1.00 62.05 ? 120 PHE A C 1 ATOM 864 O O . PHE A 1 119 ? 17.767 -30.794 14.950 1.00 64.29 ? 120 PHE A O 1 ATOM 865 C CB . PHE A 1 119 ? 19.866 -28.693 15.551 1.00 62.46 ? 120 PHE A CB 1 ATOM 866 C CG . PHE A 1 119 ? 20.688 -29.009 16.764 1.00 64.41 ? 120 PHE A CG 1 ATOM 867 C CD1 . PHE A 1 119 ? 22.052 -29.262 16.644 1.00 65.41 ? 120 PHE A CD1 1 ATOM 868 C CD2 . PHE A 1 119 ? 20.114 -29.024 18.023 1.00 64.83 ? 120 PHE A CD2 1 ATOM 869 C CE1 . PHE A 1 119 ? 22.825 -29.542 17.756 1.00 66.56 ? 120 PHE A CE1 1 ATOM 870 C CE2 . PHE A 1 119 ? 20.880 -29.295 19.137 1.00 66.43 ? 120 PHE A CE2 1 ATOM 871 C CZ . PHE A 1 119 ? 22.241 -29.556 19.008 1.00 68.07 ? 120 PHE A CZ 1 ATOM 872 N N . THR A 1 120 ? 19.551 -31.935 15.627 1.00 66.47 ? 121 THR A N 1 ATOM 873 C CA . THR A 1 120 ? 18.744 -32.991 16.222 1.00 67.77 ? 121 THR A CA 1 ATOM 874 C C . THR A 1 120 ? 19.092 -33.143 17.691 1.00 68.56 ? 121 THR A C 1 ATOM 875 O O . THR A 1 120 ? 20.156 -33.632 18.066 1.00 70.57 ? 121 THR A O 1 ATOM 876 C CB . THR A 1 120 ? 18.890 -34.305 15.459 1.00 67.26 ? 121 THR A CB 1 ATOM 877 O OG1 . THR A 1 120 ? 18.614 -34.051 14.086 1.00 69.18 ? 121 THR A OG1 1 ATOM 878 C CG2 . THR A 1 120 ? 17.893 -35.370 15.977 1.00 71.54 ? 121 THR A CG2 1 ATOM 879 N N . ALA A 1 121 ? 18.176 -32.689 18.521 1.00 68.81 ? 122 ALA A N 1 ATOM 880 C CA . ALA A 1 121 ? 18.398 -32.667 19.951 1.00 71.51 ? 122 ALA A CA 1 ATOM 881 C C . ALA A 1 121 ? 18.472 -34.088 20.465 1.00 68.68 ? 122 ALA A C 1 ATOM 882 O O . ALA A 1 121 ? 17.775 -34.973 19.963 1.00 68.18 ? 122 ALA A O 1 ATOM 883 C CB . ALA A 1 121 ? 17.272 -31.898 20.643 1.00 73.09 ? 122 ALA A CB 1 ATOM 884 N N . GLU A 1 122 ? 19.335 -34.303 21.449 1.00 69.11 ? 123 GLU A N 1 ATOM 885 C CA . GLU A 1 122 ? 19.407 -35.585 22.148 1.00 70.14 ? 123 GLU A CA 1 ATOM 886 C C . GLU A 1 122 ? 19.214 -35.361 23.629 1.00 69.37 ? 123 GLU A C 1 ATOM 887 O O . GLU A 1 122 ? 19.499 -34.272 24.143 1.00 64.69 ? 123 GLU A O 1 ATOM 888 C CB . GLU A 1 122 ? 20.739 -36.257 21.882 1.00 70.51 ? 123 GLU A CB 1 ATOM 889 C CG . GLU A 1 122 ? 20.742 -37.029 20.575 1.00 71.69 ? 123 GLU A CG 1 ATOM 890 C CD . GLU A 1 122 ? 22.118 -37.497 20.162 1.00 70.16 ? 123 GLU A CD 1 ATOM 891 O OE1 . GLU A 1 122 ? 23.103 -36.796 20.451 1.00 70.20 ? 123 GLU A OE1 1 ATOM 892 O OE2 . GLU A 1 122 ? 22.207 -38.559 19.522 1.00 71.57 ? 123 GLU A OE2 1 ATOM 893 N N . GLY A 1 123 ? 18.700 -36.383 24.302 1.00 72.42 ? 124 GLY A N 1 ATOM 894 C CA . GLY A 1 123 ? 18.416 -36.300 25.736 1.00 75.17 ? 124 GLY A CA 1 ATOM 895 C C . GLY A 1 123 ? 19.620 -36.652 26.597 1.00 75.74 ? 124 GLY A C 1 ATOM 896 O O . GLY A 1 123 ? 19.630 -37.676 27.275 1.00 77.35 ? 124 GLY A O 1 ATOM 897 N N . PHE A 1 124 ? 20.648 -35.815 26.548 1.00 75.93 ? 125 PHE A N 1 ATOM 898 C CA . PHE A 1 124 ? 21.755 -35.923 27.476 1.00 76.73 ? 125 PHE A CA 1 ATOM 899 C C . PHE A 1 124 ? 21.177 -35.635 28.835 1.00 82.02 ? 125 PHE A C 1 ATOM 900 O O . PHE A 1 124 ? 20.377 -34.701 28.968 1.00 80.26 ? 125 PHE A O 1 ATOM 901 C CB . PHE A 1 124 ? 22.811 -34.859 27.212 1.00 75.40 ? 125 PHE A CB 1 ATOM 902 C CG . PHE A 1 124 ? 23.607 -35.078 25.966 1.00 74.52 ? 125 PHE A CG 1 ATOM 903 C CD1 . PHE A 1 124 ? 23.191 -34.542 24.760 1.00 74.03 ? 125 PHE A CD1 1 ATOM 904 C CD2 . PHE A 1 124 ? 24.797 -35.790 26.012 1.00 74.54 ? 125 PHE A CD2 1 ATOM 905 C CE1 . PHE A 1 124 ? 23.937 -34.732 23.615 1.00 73.05 ? 125 PHE A CE1 1 ATOM 906 C CE2 . PHE A 1 124 ? 25.554 -35.984 24.876 1.00 73.23 ? 125 PHE A CE2 1 ATOM 907 C CZ . PHE A 1 124 ? 25.121 -35.453 23.673 1.00 73.35 ? 125 PHE A CZ 1 ATOM 908 N N . THR A 1 125 ? 21.577 -36.419 29.834 1.00 85.84 ? 126 THR A N 1 ATOM 909 C CA . THR A 1 125 ? 21.200 -36.145 31.212 1.00 89.42 ? 126 THR A CA 1 ATOM 910 C C . THR A 1 125 ? 22.452 -35.719 31.988 1.00 85.37 ? 126 THR A C 1 ATOM 911 O O . THR A 1 125 ? 23.453 -36.437 31.990 1.00 82.18 ? 126 THR A O 1 ATOM 912 C CB . THR A 1 125 ? 20.539 -37.375 31.861 1.00 95.53 ? 126 THR A CB 1 ATOM 913 O OG1 . THR A 1 125 ? 21.543 -38.346 32.153 1.00 98.46 ? 126 THR A OG1 1 ATOM 914 C CG2 . THR A 1 125 ? 19.464 -37.996 30.922 1.00 93.66 ? 126 THR A CG2 1 ATOM 915 N N . TRP A 1 126 ? 22.395 -34.538 32.608 1.00 81.56 ? 127 TRP A N 1 ATOM 916 C CA . TRP A 1 126 ? 23.511 -33.989 33.392 1.00 82.77 ? 127 TRP A CA 1 ATOM 917 C C . TRP A 1 126 ? 23.138 -33.864 34.870 1.00 85.59 ? 127 TRP A C 1 ATOM 918 O O . TRP A 1 126 ? 22.616 -32.820 35.281 1.00 85.79 ? 127 TRP A O 1 ATOM 919 C CB . TRP A 1 126 ? 23.896 -32.596 32.876 1.00 79.78 ? 127 TRP A CB 1 ATOM 920 C CG . TRP A 1 126 ? 23.969 -32.508 31.410 1.00 77.66 ? 127 TRP A CG 1 ATOM 921 C CD1 . TRP A 1 126 ? 22.984 -32.091 30.574 1.00 76.61 ? 127 TRP A CD1 1 ATOM 922 C CD2 . TRP A 1 126 ? 25.086 -32.845 30.585 1.00 73.66 ? 127 TRP A CD2 1 ATOM 923 N NE1 . TRP A 1 126 ? 23.416 -32.149 29.278 1.00 75.46 ? 127 TRP A NE1 1 ATOM 924 C CE2 . TRP A 1 126 ? 24.699 -32.621 29.255 1.00 74.46 ? 127 TRP A CE2 1 ATOM 925 C CE3 . TRP A 1 126 ? 26.370 -33.331 30.841 1.00 72.77 ? 127 TRP A CE3 1 ATOM 926 C CZ2 . TRP A 1 126 ? 25.549 -32.862 28.180 1.00 73.34 ? 127 TRP A CZ2 1 ATOM 927 C CZ3 . TRP A 1 126 ? 27.218 -33.571 29.773 1.00 71.13 ? 127 TRP A CZ3 1 ATOM 928 C CH2 . TRP A 1 126 ? 26.806 -33.333 28.463 1.00 72.49 ? 127 TRP A CH2 1 ATOM 929 N N . THR A 1 127 ? 23.402 -34.900 35.670 1.00 84.85 ? 128 THR A N 1 ATOM 930 C CA . THR A 1 127 ? 22.947 -34.894 37.072 1.00 86.92 ? 128 THR A CA 1 ATOM 931 C C . THR A 1 127 ? 23.936 -34.181 37.980 1.00 85.87 ? 128 THR A C 1 ATOM 932 O O . THR A 1 127 ? 25.162 -34.385 37.881 1.00 82.28 ? 128 THR A O 1 ATOM 933 C CB . THR A 1 127 ? 22.631 -36.305 37.635 1.00 86.10 ? 128 THR A CB 1 ATOM 934 O OG1 . THR A 1 127 ? 23.675 -37.209 37.270 1.00 83.18 ? 128 THR A OG1 1 ATOM 935 C CG2 . THR A 1 127 ? 21.250 -36.836 37.110 1.00 84.28 ? 128 THR A CG2 1 ATOM 936 N N . GLY A 1 128 ? 23.370 -33.330 38.845 1.00 85.78 ? 129 GLY A N 1 ATOM 937 C CA . GLY A 1 128 ? 24.112 -32.605 39.876 1.00 86.93 ? 129 GLY A CA 1 ATOM 938 C C . GLY A 1 128 ? 24.663 -31.256 39.453 1.00 86.01 ? 129 GLY A C 1 ATOM 939 O O . GLY A 1 128 ? 25.486 -30.670 40.173 1.00 84.20 ? 129 GLY A O 1 ATOM 940 N N . VAL A 1 129 ? 24.222 -30.765 38.290 1.00 83.90 ? 130 VAL A N 1 ATOM 941 C CA . VAL A 1 129 ? 24.602 -29.428 37.798 1.00 81.40 ? 130 VAL A CA 1 ATOM 942 C C . VAL A 1 129 ? 23.382 -28.667 37.327 1.00 80.66 ? 130 VAL A C 1 ATOM 943 O O . VAL A 1 129 ? 22.364 -29.270 37.006 1.00 81.62 ? 130 VAL A O 1 ATOM 944 C CB . VAL A 1 129 ? 25.580 -29.496 36.612 1.00 78.15 ? 130 VAL A CB 1 ATOM 945 C CG1 . VAL A 1 129 ? 26.957 -29.954 37.070 1.00 75.92 ? 130 VAL A CG1 1 ATOM 946 C CG2 . VAL A 1 129 ? 25.033 -30.402 35.512 1.00 79.29 ? 130 VAL A CG2 1 ATOM 947 N N . THR A 1 130 ? 23.489 -27.347 37.248 1.00 82.09 ? 131 THR A N 1 ATOM 948 C CA . THR A 1 130 ? 22.403 -26.558 36.664 1.00 83.59 ? 131 THR A CA 1 ATOM 949 C C . THR A 1 130 ? 22.592 -26.242 35.166 1.00 79.77 ? 131 THR A C 1 ATOM 950 O O . THR A 1 130 ? 23.634 -25.738 34.721 1.00 80.09 ? 131 THR A O 1 ATOM 951 C CB . THR A 1 130 ? 22.087 -25.272 37.451 1.00 91.27 ? 131 THR A CB 1 ATOM 952 O OG1 . THR A 1 130 ? 21.038 -24.588 36.771 1.00 95.71 ? 131 THR A OG1 1 ATOM 953 C CG2 . THR A 1 130 ? 23.256 -24.326 37.528 1.00 94.31 ? 131 THR A CG2 1 ATOM 954 N N . GLN A 1 131 ? 21.547 -26.538 34.405 1.00 74.97 ? 132 GLN A N 1 ATOM 955 C CA . GLN A 1 131 ? 21.562 -26.394 32.972 1.00 73.05 ? 132 GLN A CA 1 ATOM 956 C C . GLN A 1 131 ? 21.102 -25.005 32.558 1.00 72.22 ? 132 GLN A C 1 ATOM 957 O O . GLN A 1 131 ? 20.716 -24.194 33.392 1.00 73.19 ? 132 GLN A O 1 ATOM 958 C CB . GLN A 1 131 ? 20.642 -27.437 32.338 1.00 75.29 ? 132 GLN A CB 1 ATOM 959 C CG . GLN A 1 131 ? 21.073 -28.877 32.573 1.00 78.48 ? 132 GLN A CG 1 ATOM 960 C CD . GLN A 1 131 ? 20.184 -29.883 31.850 1.00 80.96 ? 132 GLN A CD 1 ATOM 961 O OE1 . GLN A 1 131 ? 19.672 -30.831 32.450 1.00 80.18 ? 132 GLN A OE1 1 ATOM 962 N NE2 . GLN A 1 131 ? 19.995 -29.678 30.557 1.00 79.41 ? 132 GLN A NE2 1 ATOM 963 N N . ASN A 1 132 ? 21.177 -24.744 31.258 1.00 67.50 ? 133 ASN A N 1 ATOM 964 C CA . ASN A 1 132 ? 20.606 -23.552 30.637 1.00 67.80 ? 133 ASN A CA 1 ATOM 965 C C . ASN A 1 132 ? 21.159 -22.226 31.113 1.00 68.09 ? 133 ASN A C 1 ATOM 966 O O . ASN A 1 132 ? 20.442 -21.241 31.158 1.00 70.70 ? 133 ASN A O 1 ATOM 967 C CB . ASN A 1 132 ? 19.082 -23.583 30.736 1.00 68.04 ? 133 ASN A CB 1 ATOM 968 C CG . ASN A 1 132 ? 18.498 -24.780 30.030 1.00 71.45 ? 133 ASN A CG 1 ATOM 969 O OD1 . ASN A 1 132 ? 17.623 -25.459 30.533 1.00 75.23 ? 133 ASN A OD1 1 ATOM 970 N ND2 . ASN A 1 132 ? 19.022 -25.068 28.865 1.00 75.71 ? 133 ASN A ND2 1 ATOM 971 N N . GLY A 1 133 ? 22.446 -22.192 31.426 1.00 69.81 ? 134 GLY A N 1 ATOM 972 C CA . GLY A 1 133 ? 23.126 -20.928 31.727 1.00 75.63 ? 134 GLY A CA 1 ATOM 973 C C . GLY A 1 133 ? 22.932 -19.825 30.682 1.00 77.84 ? 134 GLY A C 1 ATOM 974 O O . GLY A 1 133 ? 23.008 -20.066 29.465 1.00 77.99 ? 134 GLY A O 1 ATOM 975 N N . ARG A 1 134 ? 22.688 -18.617 31.186 1.00 82.67 ? 135 ARG A N 1 ATOM 976 C CA . ARG A 1 134 ? 22.280 -17.473 30.397 1.00 84.03 ? 135 ARG A CA 1 ATOM 977 C C . ARG A 1 134 ? 23.320 -16.391 30.586 1.00 82.68 ? 135 ARG A C 1 ATOM 978 O O . ARG A 1 134 ? 24.158 -16.487 31.474 1.00 77.68 ? 135 ARG A O 1 ATOM 979 C CB . ARG A 1 134 ? 20.930 -16.941 30.882 1.00 93.34 ? 135 ARG A CB 1 ATOM 980 C CG . ARG A 1 134 ? 19.831 -17.983 31.109 1.00 102.53 ? 135 ARG A CG 1 ATOM 981 C CD . ARG A 1 134 ? 18.515 -17.346 31.590 1.00 109.68 ? 135 ARG A CD 1 ATOM 982 N NE . ARG A 1 134 ? 18.409 -17.164 33.054 1.00 114.63 ? 135 ARG A NE 1 ATOM 983 C CZ . ARG A 1 134 ? 18.757 -16.071 33.758 1.00 110.51 ? 135 ARG A CZ 1 ATOM 984 N NH1 . ARG A 1 134 ? 19.276 -14.998 33.173 1.00 106.61 ? 135 ARG A NH1 1 ATOM 985 N NH2 . ARG A 1 134 ? 18.590 -16.055 35.082 1.00 104.75 ? 135 ARG A NH2 1 ATOM 986 N N . SER A 1 135 ? 23.258 -15.362 29.744 1.00 85.73 ? 136 SER A N 1 ATOM 987 C CA . SER A 1 135 ? 24.190 -14.238 29.823 1.00 83.38 ? 136 SER A CA 1 ATOM 988 C C . SER A 1 135 ? 23.645 -12.980 29.180 1.00 82.96 ? 136 SER A C 1 ATOM 989 O O . SER A 1 135 ? 22.948 -13.053 28.161 1.00 86.29 ? 136 SER A O 1 ATOM 990 C CB . SER A 1 135 ? 25.505 -14.586 29.152 1.00 81.05 ? 136 SER A CB 1 ATOM 991 O OG . SER A 1 135 ? 26.287 -13.416 28.998 1.00 84.03 ? 136 SER A OG 1 ATOM 992 N N . GLY A 1 136 ? 23.993 -11.833 29.771 1.00 81.54 ? 137 GLY A N 1 ATOM 993 C CA . GLY A 1 136 ? 23.554 -10.516 29.299 1.00 83.16 ? 137 GLY A CA 1 ATOM 994 C C . GLY A 1 136 ? 24.250 -10.095 28.016 1.00 87.71 ? 137 GLY A C 1 ATOM 995 O O . GLY A 1 136 ? 23.864 -9.114 27.382 1.00 90.90 ? 137 GLY A O 1 ATOM 996 N N . ALA A 1 137 ? 25.282 -10.838 27.624 1.00 85.29 ? 138 ALA A N 1 ATOM 997 C CA . ALA A 1 137 ? 25.938 -10.608 26.351 1.00 84.32 ? 138 ALA A CA 1 ATOM 998 C C . ALA A 1 137 ? 25.077 -11.108 25.200 1.00 82.00 ? 138 ALA A C 1 ATOM 999 O O . ALA A 1 137 ? 25.292 -10.720 24.050 1.00 76.52 ? 138 ALA A O 1 ATOM 1000 C CB . ALA A 1 137 ? 27.287 -11.304 26.332 1.00 83.98 ? 138 ALA A CB 1 ATOM 1001 N N . CYS A 1 138 ? 24.085 -11.935 25.520 1.00 80.94 ? 139 CYS A N 1 ATOM 1002 C CA . CYS A 1 138 ? 23.449 -12.766 24.529 1.00 84.21 ? 139 CYS A CA 1 ATOM 1003 C C . CYS A 1 138 ? 21.934 -12.743 24.706 1.00 85.65 ? 139 CYS A C 1 ATOM 1004 O O . CYS A 1 138 ? 21.334 -13.734 25.091 1.00 85.72 ? 139 CYS A O 1 ATOM 1005 C CB . CYS A 1 138 ? 24.025 -14.178 24.653 1.00 84.92 ? 139 CYS A CB 1 ATOM 1006 S SG . CYS A 1 138 ? 23.514 -15.294 23.334 1.00 93.55 ? 139 CYS A SG 1 ATOM 1007 N N . LYS A 1 139 ? 21.334 -11.598 24.380 1.00 89.79 ? 140 LYS A N 1 ATOM 1008 C CA . LYS A 1 139 ? 19.922 -11.308 24.665 1.00 91.88 ? 140 LYS A CA 1 ATOM 1009 C C . LYS A 1 139 ? 18.936 -11.800 23.607 1.00 90.51 ? 140 LYS A C 1 ATOM 1010 O O . LYS A 1 139 ? 18.869 -11.244 22.523 1.00 93.38 ? 140 LYS A O 1 ATOM 1011 C CB . LYS A 1 139 ? 19.713 -9.795 24.799 1.00 96.88 ? 140 LYS A CB 1 ATOM 1012 C CG . LYS A 1 139 ? 20.021 -9.213 26.161 1.00 104.92 ? 140 LYS A CG 1 ATOM 1013 C CD . LYS A 1 139 ? 19.221 -7.927 26.355 1.00 115.56 ? 140 LYS A CD 1 ATOM 1014 C CE . LYS A 1 139 ? 19.616 -7.151 27.606 1.00 117.26 ? 140 LYS A CE 1 ATOM 1015 N NZ . LYS A 1 139 ? 19.700 -8.018 28.812 1.00 121.27 ? 140 LYS A NZ 1 ATOM 1016 N N . ARG A 1 140 ? 18.139 -12.806 23.942 1.00 90.68 ? 141 ARG A N 1 ATOM 1017 C CA . ARG A 1 140 ? 17.046 -13.270 23.080 1.00 87.17 ? 141 ARG A CA 1 ATOM 1018 C C . ARG A 1 140 ? 15.726 -12.673 23.598 1.00 92.92 ? 141 ARG A C 1 ATOM 1019 O O . ARG A 1 140 ? 15.073 -13.251 24.475 1.00 94.86 ? 141 ARG A O 1 ATOM 1020 C CB . ARG A 1 140 ? 17.030 -14.799 23.087 1.00 81.91 ? 141 ARG A CB 1 ATOM 1021 C CG . ARG A 1 140 ? 15.914 -15.454 22.297 1.00 81.36 ? 141 ARG A CG 1 ATOM 1022 C CD . ARG A 1 140 ? 16.068 -16.973 22.294 1.00 77.07 ? 141 ARG A CD 1 ATOM 1023 N NE . ARG A 1 140 ? 17.048 -17.425 21.306 1.00 74.79 ? 141 ARG A NE 1 ATOM 1024 C CZ . ARG A 1 140 ? 18.230 -18.007 21.560 1.00 74.43 ? 141 ARG A CZ 1 ATOM 1025 N NH1 . ARG A 1 140 ? 18.633 -18.254 22.801 1.00 76.56 ? 141 ARG A NH1 1 ATOM 1026 N NH2 . ARG A 1 140 ? 19.029 -18.359 20.545 1.00 70.94 ? 141 ARG A NH2 1 ATOM 1027 N N . GLY A 1 141 ? 15.365 -11.495 23.075 1.00 98.00 ? 142 GLY A N 1 ATOM 1028 C CA . GLY A 1 141 ? 14.241 -10.689 23.592 1.00 100.79 ? 142 GLY A CA 1 ATOM 1029 C C . GLY A 1 141 ? 14.760 -9.629 24.554 1.00 106.41 ? 142 GLY A C 1 ATOM 1030 O O . GLY A 1 141 ? 15.811 -9.034 24.325 1.00 110.98 ? 142 GLY A O 1 ATOM 1031 N N . SER A 1 142 ? 14.029 -9.374 25.631 1.00 108.57 ? 143 SER A N 1 ATOM 1032 C CA . SER A 1 142 ? 14.602 -8.641 26.766 1.00 115.46 ? 143 SER A CA 1 ATOM 1033 C C . SER A 1 142 ? 15.606 -9.552 27.489 1.00 114.07 ? 143 SER A C 1 ATOM 1034 O O . SER A 1 142 ? 16.557 -9.073 28.111 1.00 115.45 ? 143 SER A O 1 ATOM 1035 C CB . SER A 1 142 ? 13.528 -8.229 27.794 1.00 118.91 ? 143 SER A CB 1 ATOM 1036 O OG . SER A 1 142 ? 12.207 -8.464 27.343 1.00 120.43 ? 143 SER A OG 1 ATOM 1037 N N . ALA A 1 143 ? 15.373 -10.863 27.401 1.00 107.45 ? 144 ALA A N 1 ATOM 1038 C CA . ALA A 1 143 ? 15.966 -11.840 28.309 1.00 98.68 ? 144 ALA A CA 1 ATOM 1039 C C . ALA A 1 143 ? 17.408 -12.212 27.979 1.00 90.60 ? 144 ALA A C 1 ATOM 1040 O O . ALA A 1 143 ? 17.785 -12.275 26.816 1.00 89.16 ? 144 ALA A O 1 ATOM 1041 C CB . ALA A 1 143 ? 15.106 -13.098 28.328 1.00 95.47 ? 144 ALA A CB 1 ATOM 1042 N N . ASP A 1 144 ? 18.190 -12.463 29.028 1.00 84.85 ? 145 ASP A N 1 ATOM 1043 C CA . ASP A 1 144 ? 19.491 -13.114 28.915 1.00 81.83 ? 145 ASP A CA 1 ATOM 1044 C C . ASP A 1 144 ? 19.270 -14.496 28.344 1.00 78.70 ? 145 ASP A C 1 ATOM 1045 O O . ASP A 1 144 ? 18.263 -15.146 28.612 1.00 72.69 ? 145 ASP A O 1 ATOM 1046 C CB . ASP A 1 144 ? 20.193 -13.297 30.278 1.00 82.28 ? 145 ASP A CB 1 ATOM 1047 C CG . ASP A 1 144 ? 20.479 -11.985 31.015 1.00 83.82 ? 145 ASP A CG 1 ATOM 1048 O OD1 . ASP A 1 144 ? 20.613 -10.908 30.376 1.00 83.16 ? 145 ASP A OD1 1 ATOM 1049 O OD2 . ASP A 1 144 ? 20.586 -12.059 32.261 1.00 83.05 ? 145 ASP A OD2 1 ATOM 1050 N N . SER A 1 145 ? 20.237 -14.951 27.564 1.00 80.46 ? 146 SER A N 1 ATOM 1051 C CA . SER A 1 145 ? 20.110 -16.209 26.847 1.00 77.54 ? 146 SER A CA 1 ATOM 1052 C C . SER A 1 145 ? 21.501 -16.678 26.431 1.00 72.82 ? 146 SER A C 1 ATOM 1053 O O . SER A 1 145 ? 22.512 -16.228 26.971 1.00 73.66 ? 146 SER A O 1 ATOM 1054 C CB . SER A 1 145 ? 19.183 -16.035 25.628 1.00 76.59 ? 146 SER A CB 1 ATOM 1055 O OG . SER A 1 145 ? 18.518 -17.246 25.318 1.00 76.44 ? 146 SER A OG 1 ATOM 1056 N N . PHE A 1 146 ? 21.554 -17.587 25.474 1.00 69.98 ? 147 PHE A N 1 ATOM 1057 C CA . PHE A 1 146 ? 22.816 -18.186 25.098 1.00 70.04 ? 147 PHE A CA 1 ATOM 1058 C C . PHE A 1 146 ? 22.656 -18.841 23.732 1.00 71.20 ? 147 PHE A C 1 ATOM 1059 O O . PHE A 1 146 ? 21.539 -18.911 23.207 1.00 73.69 ? 147 PHE A O 1 ATOM 1060 C CB . PHE A 1 146 ? 23.202 -19.218 26.154 1.00 68.45 ? 147 PHE A CB 1 ATOM 1061 C CG . PHE A 1 146 ? 24.621 -19.644 26.090 1.00 65.43 ? 147 PHE A CG 1 ATOM 1062 C CD1 . PHE A 1 146 ? 25.640 -18.746 26.345 1.00 66.75 ? 147 PHE A CD1 1 ATOM 1063 C CD2 . PHE A 1 146 ? 24.949 -20.958 25.793 1.00 65.88 ? 147 PHE A CD2 1 ATOM 1064 C CE1 . PHE A 1 146 ? 26.972 -19.155 26.282 1.00 66.85 ? 147 PHE A CE1 1 ATOM 1065 C CE2 . PHE A 1 146 ? 26.271 -21.371 25.748 1.00 63.30 ? 147 PHE A CE2 1 ATOM 1066 C CZ . PHE A 1 146 ? 27.285 -20.469 25.979 1.00 61.30 ? 147 PHE A CZ 1 ATOM 1067 N N . PHE A 1 147 ? 23.763 -19.296 23.152 1.00 66.47 ? 148 PHE A N 1 ATOM 1068 C CA . PHE A 1 147 ? 23.709 -20.051 21.924 1.00 66.27 ? 148 PHE A CA 1 ATOM 1069 C C . PHE A 1 147 ? 22.669 -21.134 22.124 1.00 63.77 ? 148 PHE A C 1 ATOM 1070 O O . PHE A 1 147 ? 22.761 -21.886 23.060 1.00 68.87 ? 148 PHE A O 1 ATOM 1071 C CB . PHE A 1 147 ? 25.066 -20.690 21.620 1.00 67.95 ? 148 PHE A CB 1 ATOM 1072 C CG . PHE A 1 147 ? 26.178 -19.692 21.388 1.00 71.53 ? 148 PHE A CG 1 ATOM 1073 C CD1 . PHE A 1 147 ? 26.220 -18.927 20.230 1.00 72.02 ? 148 PHE A CD1 1 ATOM 1074 C CD2 . PHE A 1 147 ? 27.193 -19.525 22.321 1.00 72.37 ? 148 PHE A CD2 1 ATOM 1075 C CE1 . PHE A 1 147 ? 27.242 -18.002 20.012 1.00 69.87 ? 148 PHE A CE1 1 ATOM 1076 C CE2 . PHE A 1 147 ? 28.208 -18.598 22.103 1.00 73.42 ? 148 PHE A CE2 1 ATOM 1077 C CZ . PHE A 1 147 ? 28.232 -17.837 20.945 1.00 68.95 ? 148 PHE A CZ 1 ATOM 1078 N N . SER A 1 148 ? 21.670 -21.198 21.261 1.00 64.34 ? 149 SER A N 1 ATOM 1079 C CA . SER A 1 148 ? 20.604 -22.202 21.386 1.00 65.82 ? 149 SER A CA 1 ATOM 1080 C C . SER A 1 148 ? 21.031 -23.672 21.234 1.00 64.86 ? 149 SER A C 1 ATOM 1081 O O . SER A 1 148 ? 20.338 -24.541 21.719 1.00 67.04 ? 149 SER A O 1 ATOM 1082 C CB . SER A 1 148 ? 19.502 -21.907 20.366 1.00 64.65 ? 149 SER A CB 1 ATOM 1083 O OG . SER A 1 148 ? 20.047 -21.822 19.065 1.00 67.43 ? 149 SER A OG 1 ATOM 1084 N N . ARG A 1 149 ? 22.134 -23.948 20.537 1.00 64.34 ? 150 ARG A N 1 ATOM 1085 C CA . ARG A 1 149 ? 22.610 -25.322 20.338 1.00 63.71 ? 150 ARG A CA 1 ATOM 1086 C C . ARG A 1 149 ? 23.615 -25.748 21.400 1.00 64.00 ? 150 ARG A C 1 ATOM 1087 O O . ARG A 1 149 ? 24.152 -26.858 21.363 1.00 66.91 ? 150 ARG A O 1 ATOM 1088 C CB . ARG A 1 149 ? 23.278 -25.474 18.967 1.00 63.90 ? 150 ARG A CB 1 ATOM 1089 C CG . ARG A 1 149 ? 22.328 -25.798 17.836 1.00 63.62 ? 150 ARG A CG 1 ATOM 1090 C CD . ARG A 1 149 ? 21.572 -24.562 17.408 1.00 62.28 ? 150 ARG A CD 1 ATOM 1091 N NE . ARG A 1 149 ? 20.505 -24.895 16.470 1.00 63.32 ? 150 ARG A NE 1 ATOM 1092 C CZ . ARG A 1 149 ? 20.652 -25.000 15.157 1.00 60.67 ? 150 ARG A CZ 1 ATOM 1093 N NH1 . ARG A 1 149 ? 21.836 -24.803 14.596 1.00 64.58 ? 150 ARG A NH1 1 ATOM 1094 N NH2 . ARG A 1 149 ? 19.609 -25.290 14.403 1.00 60.18 ? 150 ARG A NH2 1 ATOM 1095 N N . LEU A 1 150 ? 23.892 -24.849 22.324 1.00 65.73 ? 151 LEU A N 1 ATOM 1096 C CA . LEU A 1 150 ? 24.799 -25.124 23.411 1.00 69.71 ? 151 LEU A CA 1 ATOM 1097 C C . LEU A 1 150 ? 24.143 -24.954 24.797 1.00 70.26 ? 151 LEU A C 1 ATOM 1098 O O . LEU A 1 150 ? 23.203 -24.161 24.992 1.00 66.00 ? 151 LEU A O 1 ATOM 1099 C CB . LEU A 1 150 ? 26.022 -24.226 23.264 1.00 69.69 ? 151 LEU A CB 1 ATOM 1100 C CG . LEU A 1 150 ? 27.295 -24.791 22.621 1.00 67.39 ? 151 LEU A CG 1 ATOM 1101 C CD1 . LEU A 1 150 ? 27.045 -25.913 21.642 1.00 68.98 ? 151 LEU A CD1 1 ATOM 1102 C CD2 . LEU A 1 150 ? 28.076 -23.663 21.966 1.00 65.36 ? 151 LEU A CD2 1 ATOM 1103 N N . ASN A 1 151 ? 24.660 -25.736 25.742 1.00 72.07 ? 152 ASN A N 1 ATOM 1104 C CA . ASN A 1 151 ? 24.121 -25.831 27.098 1.00 73.16 ? 152 ASN A CA 1 ATOM 1105 C C . ASN A 1 151 ? 25.182 -25.480 28.156 1.00 71.08 ? 152 ASN A C 1 ATOM 1106 O O . ASN A 1 151 ? 26.088 -26.269 28.459 1.00 70.44 ? 152 ASN A O 1 ATOM 1107 C CB . ASN A 1 151 ? 23.588 -27.244 27.308 1.00 72.56 ? 152 ASN A CB 1 ATOM 1108 C CG . ASN A 1 151 ? 22.730 -27.371 28.537 1.00 71.93 ? 152 ASN A CG 1 ATOM 1109 O OD1 . ASN A 1 151 ? 22.712 -26.511 29.419 1.00 76.59 ? 152 ASN A OD1 1 ATOM 1110 N ND2 . ASN A 1 151 ? 22.017 -28.458 28.603 1.00 70.38 ? 152 ASN A ND2 1 ATOM 1111 N N . TRP A 1 152 ? 25.077 -24.280 28.699 1.00 70.18 ? 153 TRP A N 1 ATOM 1112 C CA . TRP A 1 152 ? 26.044 -23.825 29.671 1.00 74.03 ? 153 TRP A CA 1 ATOM 1113 C C . TRP A 1 152 ? 25.734 -24.466 31.021 1.00 73.26 ? 153 TRP A C 1 ATOM 1114 O O . TRP A 1 152 ? 24.645 -24.275 31.547 1.00 73.33 ? 153 TRP A O 1 ATOM 1115 C CB . TRP A 1 152 ? 25.982 -22.312 29.797 1.00 77.12 ? 153 TRP A CB 1 ATOM 1116 C CG . TRP A 1 152 ? 27.188 -21.738 30.421 1.00 80.82 ? 153 TRP A CG 1 ATOM 1117 C CD1 . TRP A 1 152 ? 28.166 -22.405 31.088 1.00 80.21 ? 153 TRP A CD1 1 ATOM 1118 C CD2 . TRP A 1 152 ? 27.553 -20.367 30.445 1.00 82.81 ? 153 TRP A CD2 1 ATOM 1119 N NE1 . TRP A 1 152 ? 29.120 -21.541 31.508 1.00 81.65 ? 153 TRP A NE1 1 ATOM 1120 C CE2 . TRP A 1 152 ? 28.766 -20.275 31.135 1.00 83.30 ? 153 TRP A CE2 1 ATOM 1121 C CE3 . TRP A 1 152 ? 26.976 -19.206 29.942 1.00 88.75 ? 153 TRP A CE3 1 ATOM 1122 C CZ2 . TRP A 1 152 ? 29.415 -19.065 31.348 1.00 88.77 ? 153 TRP A CZ2 1 ATOM 1123 C CZ3 . TRP A 1 152 ? 27.622 -18.001 30.154 1.00 94.34 ? 153 TRP A CZ3 1 ATOM 1124 C CH2 . TRP A 1 152 ? 28.830 -17.941 30.854 1.00 92.35 ? 153 TRP A CH2 1 ATOM 1125 N N . LEU A 1 153 ? 26.687 -25.233 31.556 1.00 72.45 ? 154 LEU A N 1 ATOM 1126 C CA . LEU A 1 153 ? 26.503 -25.974 32.799 1.00 73.43 ? 154 LEU A CA 1 ATOM 1127 C C . LEU A 1 153 ? 27.283 -25.347 33.910 1.00 76.10 ? 154 LEU A C 1 ATOM 1128 O O . LEU A 1 153 ? 28.445 -25.002 33.726 1.00 79.37 ? 154 LEU A O 1 ATOM 1129 C CB . LEU A 1 153 ? 26.988 -27.408 32.656 1.00 71.26 ? 154 LEU A CB 1 ATOM 1130 C CG . LEU A 1 153 ? 26.315 -28.203 31.549 1.00 71.19 ? 154 LEU A CG 1 ATOM 1131 C CD1 . LEU A 1 153 ? 26.946 -29.585 31.517 1.00 75.20 ? 154 LEU A CD1 1 ATOM 1132 C CD2 . LEU A 1 153 ? 24.808 -28.280 31.727 1.00 69.98 ? 154 LEU A CD2 1 ATOM 1133 N N . THR A 1 154 ? 26.635 -25.247 35.068 1.00 81.31 ? 155 THR A N 1 ATOM 1134 C CA . THR A 1 154 ? 27.226 -24.685 36.289 1.00 85.47 ? 155 THR A CA 1 ATOM 1135 C C . THR A 1 154 ? 26.821 -25.506 37.533 1.00 85.64 ? 155 THR A C 1 ATOM 1136 O O . THR A 1 154 ? 26.031 -26.458 37.440 1.00 77.61 ? 155 THR A O 1 ATOM 1137 C CB . THR A 1 154 ? 26.806 -23.207 36.469 1.00 84.24 ? 155 THR A CB 1 ATOM 1138 O OG1 . THR A 1 154 ? 25.388 -23.097 36.359 1.00 78.16 ? 155 THR A OG1 1 ATOM 1139 C CG2 . THR A 1 154 ? 27.453 -22.336 35.384 1.00 84.91 ? 155 THR A CG2 1 ATOM 1140 N N . LYS A 1 155 ? 27.377 -25.137 38.687 1.00 88.32 ? 156 LYS A N 1 ATOM 1141 C CA . LYS A 1 155 ? 27.062 -25.800 39.944 1.00 89.31 ? 156 LYS A CA 1 ATOM 1142 C C . LYS A 1 155 ? 25.564 -25.844 40.190 1.00 94.58 ? 156 LYS A C 1 ATOM 1143 O O . LYS A 1 155 ? 24.836 -24.922 39.818 1.00 89.30 ? 156 LYS A O 1 ATOM 1144 C CB . LYS A 1 155 ? 27.705 -25.060 41.110 1.00 93.14 ? 156 LYS A CB 1 ATOM 1145 C CG . LYS A 1 155 ? 27.133 -23.664 41.360 1.00 97.10 ? 156 LYS A CG 1 ATOM 1146 C CD . LYS A 1 155 ? 27.489 -23.129 42.744 1.00 102.08 ? 156 LYS A CD 1 ATOM 1147 C CE . LYS A 1 155 ? 26.635 -21.925 43.142 1.00 102.44 ? 156 LYS A CE 1 ATOM 1148 N NZ . LYS A 1 155 ? 25.235 -22.280 43.520 1.00 101.64 ? 156 LYS A NZ 1 ATOM 1149 N N . SER A 1 156 ? 25.106 -26.927 40.810 1.00 101.83 ? 157 SER A N 1 ATOM 1150 C CA . SER A 1 156 ? 23.812 -26.932 41.493 1.00 105.89 ? 157 SER A CA 1 ATOM 1151 C C . SER A 1 156 ? 24.092 -26.987 42.995 1.00 104.75 ? 157 SER A C 1 ATOM 1152 O O . SER A 1 156 ? 24.845 -27.854 43.443 1.00 105.93 ? 157 SER A O 1 ATOM 1153 C CB . SER A 1 156 ? 22.954 -28.122 41.068 1.00 103.75 ? 157 SER A CB 1 ATOM 1154 O OG . SER A 1 156 ? 21.769 -28.149 41.846 1.00 100.08 ? 157 SER A OG 1 ATOM 1155 N N . GLY A 1 157 ? 23.510 -26.060 43.759 1.00 103.58 ? 158 GLY A N 1 ATOM 1156 C CA . GLY A 1 157 ? 23.775 -25.974 45.204 1.00 105.46 ? 158 GLY A CA 1 ATOM 1157 C C . GLY A 1 157 ? 25.199 -25.522 45.523 1.00 105.89 ? 158 GLY A C 1 ATOM 1158 O O . GLY A 1 157 ? 25.554 -24.361 45.298 1.00 107.26 ? 158 GLY A O 1 ATOM 1159 N N . SER A 1 158 ? 26.025 -26.431 46.037 1.00 103.37 ? 159 SER A N 1 ATOM 1160 C CA . SER A 1 158 ? 27.410 -26.093 46.367 1.00 107.66 ? 159 SER A CA 1 ATOM 1161 C C . SER A 1 158 ? 28.411 -27.162 45.918 1.00 107.67 ? 159 SER A C 1 ATOM 1162 O O . SER A 1 158 ? 29.446 -27.372 46.562 1.00 107.56 ? 159 SER A O 1 ATOM 1163 C CB . SER A 1 158 ? 27.540 -25.820 47.869 1.00 112.26 ? 159 SER A CB 1 ATOM 1164 O OG . SER A 1 158 ? 26.959 -26.867 48.628 1.00 113.53 ? 159 SER A OG 1 ATOM 1165 N N . SER A 1 159 ? 28.107 -27.828 44.805 1.00 104.85 ? 160 SER A N 1 ATOM 1166 C CA . SER A 1 159 ? 29.098 -28.663 44.124 1.00 102.68 ? 160 SER A CA 1 ATOM 1167 C C . SER A 1 159 ? 28.836 -28.773 42.624 1.00 97.35 ? 160 SER A C 1 ATOM 1168 O O . SER A 1 159 ? 27.782 -28.378 42.104 1.00 91.35 ? 160 SER A O 1 ATOM 1169 C CB . SER A 1 159 ? 29.193 -30.059 44.747 1.00 103.04 ? 160 SER A CB 1 ATOM 1170 O OG . SER A 1 159 ? 28.077 -30.850 44.391 1.00 99.75 ? 160 SER A OG 1 ATOM 1171 N N . TYR A 1 160 ? 29.846 -29.310 41.955 1.00 93.24 ? 161 TYR A N 1 ATOM 1172 C CA . TYR A 1 160 ? 29.823 -29.599 40.536 1.00 87.19 ? 161 TYR A CA 1 ATOM 1173 C C . TYR A 1 160 ? 30.621 -30.889 40.407 1.00 83.14 ? 161 TYR A C 1 ATOM 1174 O O . TYR A 1 160 ? 31.853 -30.861 40.458 1.00 80.53 ? 161 TYR A O 1 ATOM 1175 C CB . TYR A 1 160 ? 30.496 -28.453 39.775 1.00 88.43 ? 161 TYR A CB 1 ATOM 1176 C CG . TYR A 1 160 ? 30.512 -28.569 38.272 1.00 87.45 ? 161 TYR A CG 1 ATOM 1177 C CD1 . TYR A 1 160 ? 31.241 -29.572 37.632 1.00 89.45 ? 161 TYR A CD1 1 ATOM 1178 C CD2 . TYR A 1 160 ? 29.843 -27.644 37.478 1.00 89.06 ? 161 TYR A CD2 1 ATOM 1179 C CE1 . TYR A 1 160 ? 31.272 -29.672 36.248 1.00 91.45 ? 161 TYR A CE1 1 ATOM 1180 C CE2 . TYR A 1 160 ? 29.882 -27.732 36.090 1.00 89.85 ? 161 TYR A CE2 1 ATOM 1181 C CZ . TYR A 1 160 ? 30.598 -28.751 35.477 1.00 89.59 ? 161 TYR A CZ 1 ATOM 1182 O OH . TYR A 1 160 ? 30.658 -28.856 34.099 1.00 88.47 ? 161 TYR A OH 1 ATOM 1183 N N . PRO A 1 161 ? 29.931 -32.027 40.261 1.00 82.88 ? 162 PRO A N 1 ATOM 1184 C CA . PRO A 1 161 ? 30.599 -33.321 40.314 1.00 87.44 ? 162 PRO A CA 1 ATOM 1185 C C . PRO A 1 161 ? 31.252 -33.658 38.984 1.00 88.19 ? 162 PRO A C 1 ATOM 1186 O O . PRO A 1 161 ? 30.819 -33.131 37.966 1.00 86.83 ? 162 PRO A O 1 ATOM 1187 C CB . PRO A 1 161 ? 29.438 -34.275 40.584 1.00 91.16 ? 162 PRO A CB 1 ATOM 1188 C CG . PRO A 1 161 ? 28.299 -33.654 39.823 1.00 89.04 ? 162 PRO A CG 1 ATOM 1189 C CD . PRO A 1 161 ? 28.496 -32.166 39.948 1.00 85.15 ? 162 PRO A CD 1 ATOM 1190 N N . THR A 1 162 ? 32.278 -34.516 38.988 1.00 88.46 ? 163 THR A N 1 ATOM 1191 C CA . THR A 1 162 ? 32.806 -35.081 37.741 1.00 86.56 ? 163 THR A CA 1 ATOM 1192 C C . THR A 1 162 ? 31.633 -35.606 36.912 1.00 84.66 ? 163 THR A C 1 ATOM 1193 O O . THR A 1 162 ? 30.887 -36.477 37.361 1.00 85.81 ? 163 THR A O 1 ATOM 1194 C CB . THR A 1 162 ? 33.779 -36.257 37.981 1.00 88.58 ? 163 THR A CB 1 ATOM 1195 O OG1 . THR A 1 162 ? 34.852 -35.837 38.825 1.00 88.05 ? 163 THR A OG1 1 ATOM 1196 C CG2 . THR A 1 162 ? 34.357 -36.785 36.655 1.00 86.56 ? 163 THR A CG2 1 ATOM 1197 N N . LEU A 1 163 ? 31.446 -35.027 35.729 1.00 82.36 ? 164 LEU A N 1 ATOM 1198 C CA . LEU A 1 163 ? 30.413 -35.473 34.815 1.00 80.52 ? 164 LEU A CA 1 ATOM 1199 C C . LEU A 1 163 ? 30.954 -36.574 33.965 1.00 80.17 ? 164 LEU A C 1 ATOM 1200 O O . LEU A 1 163 ? 32.093 -36.515 33.511 1.00 81.30 ? 164 LEU A O 1 ATOM 1201 C CB . LEU A 1 163 ? 29.965 -34.348 33.913 1.00 80.94 ? 164 LEU A CB 1 ATOM 1202 C CG . LEU A 1 163 ? 29.094 -33.321 34.620 1.00 83.47 ? 164 LEU A CG 1 ATOM 1203 C CD1 . LEU A 1 163 ? 29.061 -32.044 33.797 1.00 84.77 ? 164 LEU A CD1 1 ATOM 1204 C CD2 . LEU A 1 163 ? 27.687 -33.858 34.873 1.00 84.06 ? 164 LEU A CD2 1 ATOM 1205 N N . ASN A 1 164 ? 30.129 -37.584 33.748 1.00 81.61 ? 165 ASN A N 1 ATOM 1206 C CA . ASN A 1 164 ? 30.534 -38.720 32.959 1.00 82.06 ? 165 ASN A CA 1 ATOM 1207 C C . ASN A 1 164 ? 29.348 -39.251 32.170 1.00 83.45 ? 165 ASN A C 1 ATOM 1208 O O . ASN A 1 164 ? 28.613 -40.106 32.644 1.00 86.24 ? 165 ASN A O 1 ATOM 1209 C CB . ASN A 1 164 ? 31.124 -39.791 33.858 1.00 82.45 ? 165 ASN A CB 1 ATOM 1210 C CG . ASN A 1 164 ? 31.596 -40.975 33.071 1.00 83.30 ? 165 ASN A CG 1 ATOM 1211 O OD1 . ASN A 1 164 ? 32.386 -40.827 32.142 1.00 84.37 ? 165 ASN A OD1 1 ATOM 1212 N ND2 . ASN A 1 164 ? 31.100 -42.161 33.427 1.00 84.69 ? 165 ASN A ND2 1 ATOM 1213 N N . VAL A 1 165 ? 29.194 -38.728 30.955 1.00 84.34 ? 166 VAL A N 1 ATOM 1214 C CA . VAL A 1 165 ? 27.993 -38.876 30.140 1.00 82.80 ? 166 VAL A CA 1 ATOM 1215 C C . VAL A 1 165 ? 28.327 -39.498 28.801 1.00 81.78 ? 166 VAL A C 1 ATOM 1216 O O . VAL A 1 165 ? 29.323 -39.118 28.186 1.00 84.07 ? 166 VAL A O 1 ATOM 1217 C CB . VAL A 1 165 ? 27.407 -37.492 29.838 1.00 83.41 ? 166 VAL A CB 1 ATOM 1218 C CG1 . VAL A 1 165 ? 26.078 -37.604 29.092 1.00 87.56 ? 166 VAL A CG1 1 ATOM 1219 C CG2 . VAL A 1 165 ? 27.244 -36.719 31.137 1.00 85.35 ? 166 VAL A CG2 1 ATOM 1220 N N . THR A 1 166 ? 27.493 -40.439 28.350 1.00 78.73 ? 167 THR A N 1 ATOM 1221 C CA . THR A 1 166 ? 27.646 -41.048 27.026 1.00 78.64 ? 167 THR A CA 1 ATOM 1222 C C . THR A 1 166 ? 26.459 -40.790 26.110 1.00 77.30 ? 167 THR A C 1 ATOM 1223 O O . THR A 1 166 ? 25.395 -40.350 26.532 1.00 78.15 ? 167 THR A O 1 ATOM 1224 C CB . THR A 1 166 ? 27.823 -42.574 27.090 1.00 83.08 ? 167 THR A CB 1 ATOM 1225 O OG1 . THR A 1 166 ? 26.736 -43.160 27.821 1.00 84.75 ? 167 THR A OG1 1 ATOM 1226 C CG2 . THR A 1 166 ? 29.137 -42.933 27.736 1.00 86.47 ? 167 THR A CG2 1 ATOM 1227 N N . MET A 1 167 ? 26.670 -41.067 24.835 1.00 75.23 ? 168 MET A N 1 ATOM 1228 C CA . MET A 1 167 ? 25.617 -40.981 23.858 1.00 72.67 ? 168 MET A CA 1 ATOM 1229 C C . MET A 1 167 ? 26.091 -41.775 22.691 1.00 68.48 ? 168 MET A C 1 ATOM 1230 O O . MET A 1 167 ? 26.964 -41.325 21.989 1.00 69.14 ? 168 MET A O 1 ATOM 1231 C CB . MET A 1 167 ? 25.398 -39.540 23.411 1.00 74.39 ? 168 MET A CB 1 ATOM 1232 C CG . MET A 1 167 ? 24.189 -39.392 22.489 1.00 75.59 ? 168 MET A CG 1 ATOM 1233 S SD . MET A 1 167 ? 22.687 -39.919 23.354 1.00 74.38 ? 168 MET A SD 1 ATOM 1234 C CE . MET A 1 167 ? 22.502 -38.541 24.494 1.00 75.33 ? 168 MET A CE 1 ATOM 1235 N N . PRO A 1 168 ? 25.561 -42.979 22.507 1.00 69.70 ? 169 PRO A N 1 ATOM 1236 C CA . PRO A 1 168 ? 26.054 -43.777 21.396 1.00 73.81 ? 169 PRO A CA 1 ATOM 1237 C C . PRO A 1 168 ? 25.413 -43.393 20.079 1.00 75.23 ? 169 PRO A C 1 ATOM 1238 O O . PRO A 1 168 ? 24.285 -42.920 20.071 1.00 83.43 ? 169 PRO A O 1 ATOM 1239 C CB . PRO A 1 168 ? 25.681 -45.208 21.785 1.00 77.16 ? 169 PRO A CB 1 ATOM 1240 C CG . PRO A 1 168 ? 24.619 -45.088 22.810 1.00 74.99 ? 169 PRO A CG 1 ATOM 1241 C CD . PRO A 1 168 ? 24.783 -43.765 23.472 1.00 72.21 ? 169 PRO A CD 1 ATOM 1242 N N . ASN A 1 169 ? 26.140 -43.596 18.988 1.00 73.11 ? 170 ASN A N 1 ATOM 1243 C CA . ASN A 1 169 ? 25.624 -43.391 17.647 1.00 71.31 ? 170 ASN A CA 1 ATOM 1244 C C . ASN A 1 169 ? 25.200 -44.742 17.082 1.00 75.79 ? 170 ASN A C 1 ATOM 1245 O O . ASN A 1 169 ? 26.044 -45.549 16.676 1.00 74.70 ? 170 ASN A O 1 ATOM 1246 C CB . ASN A 1 169 ? 26.708 -42.756 16.789 1.00 70.79 ? 170 ASN A CB 1 ATOM 1247 C CG . ASN A 1 169 ? 26.298 -42.562 15.347 1.00 73.51 ? 170 ASN A CG 1 ATOM 1248 O OD1 . ASN A 1 169 ? 25.219 -42.985 14.912 1.00 76.31 ? 170 ASN A OD1 1 ATOM 1249 N ND2 . ASN A 1 169 ? 27.178 -41.924 14.582 1.00 71.58 ? 170 ASN A ND2 1 ATOM 1250 N N . ASN A 1 170 ? 23.890 -44.985 17.076 1.00 78.51 ? 171 ASN A N 1 ATOM 1251 C CA . ASN A 1 170 ? 23.328 -46.203 16.497 1.00 81.28 ? 171 ASN A CA 1 ATOM 1252 C C . ASN A 1 170 ? 22.719 -45.967 15.125 1.00 83.75 ? 171 ASN A C 1 ATOM 1253 O O . ASN A 1 170 ? 21.971 -46.802 14.630 1.00 81.20 ? 171 ASN A O 1 ATOM 1254 C CB . ASN A 1 170 ? 22.278 -46.773 17.428 1.00 85.93 ? 171 ASN A CB 1 ATOM 1255 C CG . ASN A 1 170 ? 22.866 -47.197 18.746 1.00 88.08 ? 171 ASN A CG 1 ATOM 1256 O OD1 . ASN A 1 170 ? 23.712 -48.079 18.794 1.00 88.92 ? 171 ASN A OD1 1 ATOM 1257 N ND2 . ASN A 1 170 ? 22.444 -46.557 19.818 1.00 89.92 ? 171 ASN A ND2 1 ATOM 1258 N N . LYS A 1 171 ? 23.069 -44.841 14.504 1.00 84.46 ? 172 LYS A N 1 ATOM 1259 C CA . LYS A 1 171 ? 22.507 -44.452 13.223 1.00 85.18 ? 172 LYS A CA 1 ATOM 1260 C C . LYS A 1 171 ? 23.365 -44.956 12.070 1.00 89.01 ? 172 LYS A C 1 ATOM 1261 O O . LYS A 1 171 ? 24.400 -45.583 12.294 1.00 90.58 ? 172 LYS A O 1 ATOM 1262 C CB . LYS A 1 171 ? 22.393 -42.937 13.161 1.00 83.80 ? 172 LYS A CB 1 ATOM 1263 C CG . LYS A 1 171 ? 21.492 -42.350 14.231 1.00 82.51 ? 172 LYS A CG 1 ATOM 1264 C CD . LYS A 1 171 ? 20.024 -42.558 13.912 1.00 81.34 ? 172 LYS A CD 1 ATOM 1265 C CE . LYS A 1 171 ? 19.173 -41.593 14.720 1.00 82.22 ? 172 LYS A CE 1 ATOM 1266 N NZ . LYS A 1 171 ? 17.722 -41.899 14.607 1.00 86.15 ? 172 LYS A NZ 1 ATOM 1267 N N . ASN A 1 172 ? 22.910 -44.690 10.843 1.00 93.86 ? 173 ASN A N 1 ATOM 1268 C CA . ASN A 1 172 ? 23.642 -45.038 9.619 1.00 96.69 ? 173 ASN A CA 1 ATOM 1269 C C . ASN A 1 172 ? 24.809 -44.099 9.333 1.00 91.76 ? 173 ASN A C 1 ATOM 1270 O O . ASN A 1 172 ? 25.662 -44.414 8.495 1.00 91.05 ? 173 ASN A O 1 ATOM 1271 C CB . ASN A 1 172 ? 22.712 -44.973 8.392 1.00 102.64 ? 173 ASN A CB 1 ATOM 1272 C CG . ASN A 1 172 ? 21.659 -46.070 8.371 1.00 110.92 ? 173 ASN A CG 1 ATOM 1273 O OD1 . ASN A 1 172 ? 21.673 -47.000 9.183 1.00 114.14 ? 173 ASN A OD1 1 ATOM 1274 N ND2 . ASN A 1 172 ? 20.735 -45.966 7.418 1.00 113.69 ? 173 ASN A ND2 1 ATOM 1275 N N . PHE A 1 173 ? 24.836 -42.950 10.007 1.00 81.35 ? 174 PHE A N 1 ATOM 1276 C CA . PHE A 1 173 ? 25.654 -41.824 9.573 1.00 75.85 ? 174 PHE A CA 1 ATOM 1277 C C . PHE A 1 173 ? 26.526 -41.259 10.682 1.00 72.93 ? 174 PHE A C 1 ATOM 1278 O O . PHE A 1 173 ? 26.299 -41.500 11.860 1.00 71.83 ? 174 PHE A O 1 ATOM 1279 C CB . PHE A 1 173 ? 24.767 -40.711 8.988 1.00 71.24 ? 174 PHE A CB 1 ATOM 1280 C CG . PHE A 1 173 ? 23.588 -40.354 9.856 1.00 73.56 ? 174 PHE A CG 1 ATOM 1281 C CD1 . PHE A 1 173 ? 23.730 -39.474 10.925 1.00 72.00 ? 174 PHE A CD1 1 ATOM 1282 C CD2 . PHE A 1 173 ? 22.333 -40.912 9.615 1.00 73.71 ? 174 PHE A CD2 1 ATOM 1283 C CE1 . PHE A 1 173 ? 22.645 -39.150 11.723 1.00 74.27 ? 174 PHE A CE1 1 ATOM 1284 C CE2 . PHE A 1 173 ? 21.246 -40.595 10.420 1.00 74.74 ? 174 PHE A CE2 1 ATOM 1285 C CZ . PHE A 1 173 ? 21.402 -39.716 11.477 1.00 73.45 ? 174 PHE A CZ 1 ATOM 1286 N N . ASP A 1 174 ? 27.529 -40.497 10.264 1.00 74.81 ? 175 ASP A N 1 ATOM 1287 C CA . ASP A 1 174 ? 28.402 -39.782 11.169 1.00 76.64 ? 175 ASP A CA 1 ATOM 1288 C C . ASP A 1 174 ? 27.595 -38.648 11.794 1.00 73.33 ? 175 ASP A C 1 ATOM 1289 O O . ASP A 1 174 ? 26.847 -37.967 11.086 1.00 72.86 ? 175 ASP A O 1 ATOM 1290 C CB . ASP A 1 174 ? 29.613 -39.204 10.408 1.00 81.36 ? 175 ASP A CB 1 ATOM 1291 C CG . ASP A 1 174 ? 30.602 -40.279 9.930 1.00 84.80 ? 175 ASP A CG 1 ATOM 1292 O OD1 . ASP A 1 174 ? 30.407 -41.481 10.206 1.00 98.89 ? 175 ASP A OD1 1 ATOM 1293 O OD2 . ASP A 1 174 ? 31.599 -39.917 9.281 1.00 82.37 ? 175 ASP A OD2 1 ATOM 1294 N N . LYS A 1 175 ? 27.728 -38.465 13.108 1.00 66.06 ? 176 LYS A N 1 ATOM 1295 C CA . LYS A 1 175 ? 27.112 -37.339 13.791 1.00 64.01 ? 176 LYS A CA 1 ATOM 1296 C C . LYS A 1 175 ? 28.170 -36.292 14.047 1.00 59.61 ? 176 LYS A C 1 ATOM 1297 O O . LYS A 1 175 ? 29.313 -36.633 14.355 1.00 60.91 ? 176 LYS A O 1 ATOM 1298 C CB . LYS A 1 175 ? 26.542 -37.776 15.133 1.00 70.03 ? 176 LYS A CB 1 ATOM 1299 C CG . LYS A 1 175 ? 25.261 -38.595 15.099 1.00 72.90 ? 176 LYS A CG 1 ATOM 1300 C CD . LYS A 1 175 ? 24.844 -38.927 16.527 1.00 71.56 ? 176 LYS A CD 1 ATOM 1301 C CE . LYS A 1 175 ? 23.835 -40.055 16.592 1.00 70.69 ? 176 LYS A CE 1 ATOM 1302 N NZ . LYS A 1 175 ? 23.583 -40.416 18.023 1.00 71.69 ? 176 LYS A NZ 1 ATOM 1303 N N . LEU A 1 176 ? 27.807 -35.022 13.946 1.00 57.86 ? 177 LEU A N 1 ATOM 1304 C CA . LEU A 1 176 ? 28.758 -33.944 14.267 1.00 60.51 ? 177 LEU A CA 1 ATOM 1305 C C . LEU A 1 176 ? 28.341 -33.251 15.535 1.00 58.58 ? 177 LEU A C 1 ATOM 1306 O O . LEU A 1 176 ? 27.240 -32.743 15.601 1.00 57.06 ? 177 LEU A O 1 ATOM 1307 C CB . LEU A 1 176 ? 28.817 -32.903 13.143 1.00 60.94 ? 177 LEU A CB 1 ATOM 1308 C CG . LEU A 1 176 ? 29.561 -31.602 13.504 1.00 60.66 ? 177 LEU A CG 1 ATOM 1309 C CD1 . LEU A 1 176 ? 31.030 -31.875 13.733 1.00 60.31 ? 177 LEU A CD1 1 ATOM 1310 C CD2 . LEU A 1 176 ? 29.393 -30.530 12.439 1.00 58.37 ? 177 LEU A CD2 1 ATOM 1311 N N . TYR A 1 177 ? 29.227 -33.195 16.520 1.00 59.14 ? 178 TYR A N 1 ATOM 1312 C CA . TYR A 1 177 ? 28.880 -32.622 17.824 1.00 61.38 ? 178 TYR A CA 1 ATOM 1313 C C . TYR A 1 177 ? 29.671 -31.358 18.060 1.00 59.90 ? 178 TYR A C 1 ATOM 1314 O O . TYR A 1 177 ? 30.885 -31.350 17.890 1.00 64.48 ? 178 TYR A O 1 ATOM 1315 C CB . TYR A 1 177 ? 29.162 -33.617 18.967 1.00 62.07 ? 178 TYR A CB 1 ATOM 1316 C CG . TYR A 1 177 ? 28.126 -34.716 19.138 1.00 63.50 ? 178 TYR A CG 1 ATOM 1317 C CD1 . TYR A 1 177 ? 26.911 -34.467 19.781 1.00 64.98 ? 178 TYR A CD1 1 ATOM 1318 C CD2 . TYR A 1 177 ? 28.370 -36.008 18.674 1.00 62.93 ? 178 TYR A CD2 1 ATOM 1319 C CE1 . TYR A 1 177 ? 25.977 -35.477 19.954 1.00 67.18 ? 178 TYR A CE1 1 ATOM 1320 C CE2 . TYR A 1 177 ? 27.437 -37.018 18.828 1.00 65.97 ? 178 TYR A CE2 1 ATOM 1321 C CZ . TYR A 1 177 ? 26.246 -36.756 19.471 1.00 66.53 ? 178 TYR A CZ 1 ATOM 1322 O OH . TYR A 1 177 ? 25.334 -37.769 19.610 1.00 65.05 ? 178 TYR A OH 1 ATOM 1323 N N . ILE A 1 178 ? 28.980 -30.302 18.464 1.00 61.40 ? 179 ILE A N 1 ATOM 1324 C CA . ILE A 1 178 ? 29.603 -29.023 18.748 1.00 61.30 ? 179 ILE A CA 1 ATOM 1325 C C . ILE A 1 178 ? 29.480 -28.770 20.224 1.00 62.60 ? 179 ILE A C 1 ATOM 1326 O O . ILE A 1 178 ? 28.397 -28.895 20.787 1.00 67.32 ? 179 ILE A O 1 ATOM 1327 C CB . ILE A 1 178 ? 28.897 -27.860 18.039 1.00 62.38 ? 179 ILE A CB 1 ATOM 1328 C CG1 . ILE A 1 178 ? 28.810 -28.117 16.539 1.00 66.41 ? 179 ILE A CG1 1 ATOM 1329 C CG2 . ILE A 1 178 ? 29.646 -26.555 18.271 1.00 64.39 ? 179 ILE A CG2 1 ATOM 1330 C CD1 . ILE A 1 178 ? 30.155 -28.301 15.865 1.00 65.56 ? 179 ILE A CD1 1 ATOM 1331 N N . TRP A 1 179 ? 30.588 -28.375 20.831 1.00 61.04 ? 180 TRP A N 1 ATOM 1332 C CA . TRP A 1 179 ? 30.667 -28.221 22.259 1.00 60.77 ? 180 TRP A CA 1 ATOM 1333 C C . TRP A 1 179 ? 31.747 -27.236 22.565 1.00 60.73 ? 180 TRP A C 1 ATOM 1334 O O . TRP A 1 179 ? 32.410 -26.761 21.656 1.00 62.01 ? 180 TRP A O 1 ATOM 1335 C CB . TRP A 1 179 ? 30.956 -29.570 22.936 1.00 62.46 ? 180 TRP A CB 1 ATOM 1336 C CG . TRP A 1 179 ? 32.181 -30.289 22.475 1.00 60.74 ? 180 TRP A CG 1 ATOM 1337 C CD1 . TRP A 1 179 ? 32.253 -31.222 21.491 1.00 62.96 ? 180 TRP A CD1 1 ATOM 1338 C CD2 . TRP A 1 179 ? 33.502 -30.148 22.991 1.00 61.80 ? 180 TRP A CD2 1 ATOM 1339 N NE1 . TRP A 1 179 ? 33.542 -31.672 21.356 1.00 63.54 ? 180 TRP A NE1 1 ATOM 1340 C CE2 . TRP A 1 179 ? 34.327 -31.029 22.270 1.00 60.50 ? 180 TRP A CE2 1 ATOM 1341 C CE3 . TRP A 1 179 ? 34.067 -29.369 24.003 1.00 64.40 ? 180 TRP A CE3 1 ATOM 1342 C CZ2 . TRP A 1 179 ? 35.675 -31.153 22.520 1.00 61.41 ? 180 TRP A CZ2 1 ATOM 1343 C CZ3 . TRP A 1 179 ? 35.409 -29.496 24.257 1.00 64.80 ? 180 TRP A CZ3 1 ATOM 1344 C CH2 . TRP A 1 179 ? 36.202 -30.377 23.515 1.00 63.66 ? 180 TRP A CH2 1 ATOM 1345 N N . GLY A 1 180 ? 31.913 -26.893 23.837 1.00 62.59 ? 181 GLY A N 1 ATOM 1346 C CA . GLY A 1 180 ? 32.863 -25.865 24.168 1.00 65.77 ? 181 GLY A CA 1 ATOM 1347 C C . GLY A 1 180 ? 33.272 -25.849 25.602 1.00 69.21 ? 181 GLY A C 1 ATOM 1348 O O . GLY A 1 180 ? 32.749 -26.614 26.427 1.00 69.44 ? 181 GLY A O 1 ATOM 1349 N N . ILE A 1 181 ? 34.208 -24.948 25.887 1.00 70.20 ? 182 ILE A N 1 ATOM 1350 C CA . ILE A 1 181 ? 34.699 -24.727 27.238 1.00 69.07 ? 182 ILE A CA 1 ATOM 1351 C C . ILE A 1 181 ? 34.694 -23.228 27.558 1.00 67.59 ? 182 ILE A C 1 ATOM 1352 O O . ILE A 1 181 ? 34.920 -22.383 26.679 1.00 63.54 ? 182 ILE A O 1 ATOM 1353 C CB . ILE A 1 181 ? 36.103 -25.321 27.385 1.00 69.14 ? 182 ILE A CB 1 ATOM 1354 C CG1 . ILE A 1 181 ? 36.447 -25.502 28.843 1.00 74.62 ? 182 ILE A CG1 1 ATOM 1355 C CG2 . ILE A 1 181 ? 37.139 -24.436 26.721 1.00 70.18 ? 182 ILE A CG2 1 ATOM 1356 C CD1 . ILE A 1 181 ? 37.793 -26.153 29.075 1.00 79.85 ? 182 ILE A CD1 1 ATOM 1357 N N . HIS A 1 182 ? 34.416 -22.902 28.814 1.00 69.65 ? 183 HIS A N 1 ATOM 1358 C CA . HIS A 1 182 ? 34.375 -21.510 29.263 1.00 72.19 ? 183 HIS A CA 1 ATOM 1359 C C . HIS A 1 182 ? 35.638 -21.104 29.993 1.00 72.99 ? 183 HIS A C 1 ATOM 1360 O O . HIS A 1 182 ? 35.947 -21.681 31.030 1.00 74.90 ? 183 HIS A O 1 ATOM 1361 C CB . HIS A 1 182 ? 33.182 -21.288 30.181 1.00 75.36 ? 183 HIS A CB 1 ATOM 1362 C CG . HIS A 1 182 ? 33.100 -19.904 30.738 1.00 80.51 ? 183 HIS A CG 1 ATOM 1363 N ND1 . HIS A 1 182 ? 32.713 -19.646 32.033 1.00 83.13 ? 183 HIS A ND1 1 ATOM 1364 C CD2 . HIS A 1 182 ? 33.376 -18.702 30.181 1.00 83.86 ? 183 HIS A CD2 1 ATOM 1365 C CE1 . HIS A 1 182 ? 32.744 -18.341 32.246 1.00 87.68 ? 183 HIS A CE1 1 ATOM 1366 N NE2 . HIS A 1 182 ? 33.145 -17.746 31.138 1.00 85.07 ? 183 HIS A NE2 1 ATOM 1367 N N . HIS A 1 183 ? 36.351 -20.114 29.439 1.00 74.54 ? 184 HIS A N 1 ATOM 1368 C CA . HIS A 1 183 ? 37.486 -19.457 30.099 1.00 76.28 ? 184 HIS A CA 1 ATOM 1369 C C . HIS A 1 183 ? 36.956 -18.244 30.836 1.00 78.27 ? 184 HIS A C 1 ATOM 1370 O O . HIS A 1 183 ? 36.523 -17.284 30.206 1.00 76.32 ? 184 HIS A O 1 ATOM 1371 C CB . HIS A 1 183 ? 38.507 -18.954 29.098 1.00 76.28 ? 184 HIS A CB 1 ATOM 1372 C CG . HIS A 1 183 ? 38.921 -19.962 28.086 1.00 75.97 ? 184 HIS A CG 1 ATOM 1373 N ND1 . HIS A 1 183 ? 39.962 -20.835 28.292 1.00 79.09 ? 184 HIS A ND1 1 ATOM 1374 C CD2 . HIS A 1 183 ? 38.463 -20.212 26.841 1.00 78.60 ? 184 HIS A CD2 1 ATOM 1375 C CE1 . HIS A 1 183 ? 40.121 -21.593 27.224 1.00 79.60 ? 184 HIS A CE1 1 ATOM 1376 N NE2 . HIS A 1 183 ? 39.227 -21.232 26.325 1.00 79.56 ? 184 HIS A NE2 1 ATOM 1377 N N . PRO A 1 184 ? 36.968 -18.269 32.169 1.00 81.00 ? 185 PRO A N 1 ATOM 1378 C CA . PRO A 1 184 ? 36.414 -17.123 32.874 1.00 82.60 ? 185 PRO A CA 1 ATOM 1379 C C . PRO A 1 184 ? 37.481 -16.085 33.122 1.00 84.85 ? 185 PRO A C 1 ATOM 1380 O O . PRO A 1 184 ? 38.659 -16.369 32.942 1.00 86.30 ? 185 PRO A O 1 ATOM 1381 C CB . PRO A 1 184 ? 35.931 -17.721 34.196 1.00 84.77 ? 185 PRO A CB 1 ATOM 1382 C CG . PRO A 1 184 ? 36.211 -19.199 34.106 1.00 84.98 ? 185 PRO A CG 1 ATOM 1383 C CD . PRO A 1 184 ? 37.284 -19.360 33.092 1.00 81.99 ? 185 PRO A CD 1 ATOM 1384 N N . SER A 1 185 ? 37.061 -14.903 33.561 1.00 89.61 ? 186 SER A N 1 ATOM 1385 C CA . SER A 1 185 ? 37.965 -13.758 33.757 1.00 92.91 ? 186 SER A CA 1 ATOM 1386 C C . SER A 1 185 ? 38.571 -13.628 35.172 1.00 95.59 ? 186 SER A C 1 ATOM 1387 O O . SER A 1 185 ? 39.515 -12.860 35.380 1.00 98.52 ? 186 SER A O 1 ATOM 1388 C CB . SER A 1 185 ? 37.207 -12.480 33.417 1.00 92.91 ? 186 SER A CB 1 ATOM 1389 O OG . SER A 1 185 ? 35.922 -12.507 34.017 1.00 91.58 ? 186 SER A OG 1 ATOM 1390 N N . SER A 1 186 ? 38.027 -14.361 36.138 1.00 92.61 ? 187 SER A N 1 ATOM 1391 C CA . SER A 1 186 ? 38.526 -14.300 37.500 1.00 93.44 ? 187 SER A CA 1 ATOM 1392 C C . SER A 1 186 ? 38.329 -15.627 38.240 1.00 92.75 ? 187 SER A C 1 ATOM 1393 O O . SER A 1 186 ? 37.354 -16.348 38.002 1.00 87.61 ? 187 SER A O 1 ATOM 1394 C CB . SER A 1 186 ? 37.826 -13.154 38.244 1.00 97.55 ? 187 SER A CB 1 ATOM 1395 O OG . SER A 1 186 ? 36.425 -13.376 38.392 1.00 93.88 ? 187 SER A OG 1 ATOM 1396 N N . ASN A 1 187 ? 39.255 -15.931 39.150 1.00 94.89 ? 188 ASN A N 1 ATOM 1397 C CA . ASN A 1 187 ? 39.143 -17.106 40.025 1.00 89.91 ? 188 ASN A CA 1 ATOM 1398 C C . ASN A 1 187 ? 37.850 -17.048 40.786 1.00 88.62 ? 188 ASN A C 1 ATOM 1399 O O . ASN A 1 187 ? 37.189 -18.057 40.975 1.00 82.57 ? 188 ASN A O 1 ATOM 1400 C CB . ASN A 1 187 ? 40.308 -17.171 41.005 1.00 89.68 ? 188 ASN A CB 1 ATOM 1401 C CG . ASN A 1 187 ? 41.654 -17.116 40.309 1.00 92.56 ? 188 ASN A CG 1 ATOM 1402 O OD1 . ASN A 1 187 ? 42.491 -16.265 40.619 1.00 95.82 ? 188 ASN A OD1 1 ATOM 1403 N ND2 . ASN A 1 187 ? 41.855 -17.997 39.334 1.00 87.98 ? 188 ASN A ND2 1 ATOM 1404 N N . GLN A 1 188 ? 37.495 -15.846 41.219 1.00 97.55 ? 189 GLN A N 1 ATOM 1405 C CA . GLN A 1 188 ? 36.234 -15.628 41.940 1.00 106.47 ? 189 GLN A CA 1 ATOM 1406 C C . GLN A 1 188 ? 35.030 -16.019 41.060 1.00 103.33 ? 189 GLN A C 1 ATOM 1407 O O . GLN A 1 188 ? 34.060 -16.601 41.549 1.00 101.03 ? 189 GLN A O 1 ATOM 1408 C CB . GLN A 1 188 ? 36.122 -14.185 42.513 1.00 113.21 ? 189 GLN A CB 1 ATOM 1409 C CG . GLN A 1 188 ? 36.624 -13.051 41.604 1.00 120.06 ? 189 GLN A CG 1 ATOM 1410 C CD . GLN A 1 188 ? 38.062 -12.588 41.893 1.00 122.72 ? 189 GLN A CD 1 ATOM 1411 O OE1 . GLN A 1 188 ? 38.999 -12.848 41.123 1.00 116.81 ? 189 GLN A OE1 1 ATOM 1412 N NE2 . GLN A 1 188 ? 38.234 -11.895 43.006 1.00 126.58 ? 189 GLN A NE2 1 ATOM 1413 N N . GLU A 1 189 ? 35.107 -15.744 39.759 1.00 104.68 ? 190 GLU A N 1 ATOM 1414 C CA . GLU A 1 189 ? 34.043 -16.163 38.838 1.00 102.99 ? 190 GLU A CA 1 ATOM 1415 C C . GLU A 1 189 ? 34.137 -17.677 38.541 1.00 96.23 ? 190 GLU A C 1 ATOM 1416 O O . GLU A 1 189 ? 33.114 -18.351 38.439 1.00 92.84 ? 190 GLU A O 1 ATOM 1417 C CB . GLU A 1 189 ? 34.053 -15.331 37.545 1.00 107.18 ? 190 GLU A CB 1 ATOM 1418 C CG . GLU A 1 189 ? 32.674 -15.163 36.898 1.00 112.70 ? 190 GLU A CG 1 ATOM 1419 C CD . GLU A 1 189 ? 32.684 -15.164 35.357 1.00 117.01 ? 190 GLU A CD 1 ATOM 1420 O OE1 . GLU A 1 189 ? 33.756 -14.989 34.718 1.00 123.64 ? 190 GLU A OE1 1 ATOM 1421 O OE2 . GLU A 1 189 ? 31.596 -15.337 34.767 1.00 109.94 ? 190 GLU A OE2 1 ATOM 1422 N N . GLN A 1 190 ? 35.357 -18.205 38.418 1.00 90.56 ? 191 GLN A N 1 ATOM 1423 C CA . GLN A 1 190 ? 35.573 -19.650 38.296 1.00 85.57 ? 191 GLN A CA 1 ATOM 1424 C C . GLN A 1 190 ? 34.841 -20.422 39.397 1.00 88.17 ? 191 GLN A C 1 ATOM 1425 O O . GLN A 1 190 ? 33.904 -21.185 39.114 1.00 85.20 ? 191 GLN A O 1 ATOM 1426 C CB . GLN A 1 190 ? 37.073 -19.964 38.336 1.00 88.99 ? 191 GLN A CB 1 ATOM 1427 C CG . GLN A 1 190 ? 37.440 -21.437 38.498 1.00 92.65 ? 191 GLN A CG 1 ATOM 1428 C CD . GLN A 1 190 ? 37.221 -22.271 37.235 1.00 92.95 ? 191 GLN A CD 1 ATOM 1429 O OE1 . GLN A 1 190 ? 37.337 -21.777 36.119 1.00 90.45 ? 191 GLN A OE1 1 ATOM 1430 N NE2 . GLN A 1 190 ? 36.917 -23.552 37.418 1.00 94.03 ? 191 GLN A NE2 1 ATOM 1431 N N . THR A 1 191 ? 35.254 -20.199 40.649 1.00 91.19 ? 192 THR A N 1 ATOM 1432 C CA . THR A 1 191 ? 34.725 -20.952 41.791 1.00 89.38 ? 192 THR A CA 1 ATOM 1433 C C . THR A 1 191 ? 33.224 -20.716 41.962 1.00 87.98 ? 192 THR A C 1 ATOM 1434 O O . THR A 1 191 ? 32.483 -21.648 42.261 1.00 84.92 ? 192 THR A O 1 ATOM 1435 C CB . THR A 1 191 ? 35.496 -20.654 43.095 1.00 93.71 ? 192 THR A CB 1 ATOM 1436 O OG1 . THR A 1 191 ? 35.538 -19.246 43.337 1.00 98.75 ? 192 THR A OG1 1 ATOM 1437 C CG2 . THR A 1 191 ? 36.935 -21.174 43.004 1.00 94.15 ? 192 THR A CG2 1 ATOM 1438 N N . LYS A 1 192 ? 32.777 -19.485 41.718 1.00 87.73 ? 193 LYS A N 1 ATOM 1439 C CA . LYS A 1 192 ? 31.348 -19.164 41.753 1.00 89.69 ? 193 LYS A CA 1 ATOM 1440 C C . LYS A 1 192 ? 30.546 -20.085 40.811 1.00 90.63 ? 193 LYS A C 1 ATOM 1441 O O . LYS A 1 192 ? 29.538 -20.651 41.213 1.00 92.23 ? 193 LYS A O 1 ATOM 1442 C CB . LYS A 1 192 ? 31.116 -17.676 41.411 1.00 92.46 ? 193 LYS A CB 1 ATOM 1443 C CG . LYS A 1 192 ? 29.918 -17.023 42.098 1.00 101.21 ? 193 LYS A CG 1 ATOM 1444 C CD . LYS A 1 192 ? 28.624 -17.055 41.284 1.00 104.83 ? 193 LYS A CD 1 ATOM 1445 C CE . LYS A 1 192 ? 28.117 -15.659 40.913 1.00 109.53 ? 193 LYS A CE 1 ATOM 1446 N NZ . LYS A 1 192 ? 28.840 -15.075 39.748 1.00 108.72 ? 193 LYS A NZ 1 ATOM 1447 N N . LEU A 1 193 ? 31.007 -20.254 39.571 1.00 93.48 ? 194 LEU A N 1 ATOM 1448 C CA . LEU A 1 193 ? 30.238 -20.989 38.550 1.00 94.19 ? 194 LEU A CA 1 ATOM 1449 C C . LEU A 1 193 ? 30.449 -22.501 38.620 1.00 92.28 ? 194 LEU A C 1 ATOM 1450 O O . LEU A 1 193 ? 29.519 -23.302 38.440 1.00 82.41 ? 194 LEU A O 1 ATOM 1451 C CB . LEU A 1 193 ? 30.614 -20.510 37.137 1.00 98.99 ? 194 LEU A CB 1 ATOM 1452 C CG . LEU A 1 193 ? 29.877 -19.335 36.470 1.00 104.00 ? 194 LEU A CG 1 ATOM 1453 C CD1 . LEU A 1 193 ? 28.383 -19.306 36.791 1.00 104.11 ? 194 LEU A CD1 1 ATOM 1454 C CD2 . LEU A 1 193 ? 30.522 -18.009 36.839 1.00 107.85 ? 194 LEU A CD2 1 ATOM 1455 N N . TYR A 1 194 ? 31.699 -22.875 38.836 1.00 92.91 ? 195 TYR A N 1 ATOM 1456 C CA . TYR A 1 194 ? 32.104 -24.262 38.900 1.00 94.84 ? 195 TYR A CA 1 ATOM 1457 C C . TYR A 1 194 ? 32.827 -24.402 40.213 1.00 106.04 ? 195 TYR A C 1 ATOM 1458 O O . TYR A 1 194 ? 33.602 -23.520 40.569 1.00 122.13 ? 195 TYR A O 1 ATOM 1459 C CB . TYR A 1 194 ? 33.052 -24.523 37.753 1.00 89.31 ? 195 TYR A CB 1 ATOM 1460 C CG . TYR A 1 194 ? 32.642 -23.790 36.512 1.00 83.43 ? 195 TYR A CG 1 ATOM 1461 C CD1 . TYR A 1 194 ? 31.524 -24.185 35.802 1.00 83.11 ? 195 TYR A CD1 1 ATOM 1462 C CD2 . TYR A 1 194 ? 33.348 -22.689 36.060 1.00 82.51 ? 195 TYR A CD2 1 ATOM 1463 C CE1 . TYR A 1 194 ? 31.137 -23.529 34.654 1.00 79.14 ? 195 TYR A CE1 1 ATOM 1464 C CE2 . TYR A 1 194 ? 32.966 -22.025 34.918 1.00 80.85 ? 195 TYR A CE2 1 ATOM 1465 C CZ . TYR A 1 194 ? 31.853 -22.455 34.223 1.00 78.77 ? 195 TYR A CZ 1 ATOM 1466 O OH . TYR A 1 194 ? 31.445 -21.817 33.078 1.00 77.50 ? 195 TYR A OH 1 ATOM 1467 N N . ILE A 1 195 ? 32.592 -25.469 40.960 1.00 102.82 ? 196 ILE A N 1 ATOM 1468 C CA . ILE A 1 195 ? 33.157 -25.505 42.311 1.00 99.31 ? 196 ILE A CA 1 ATOM 1469 C C . ILE A 1 195 ? 34.678 -25.519 42.228 1.00 94.38 ? 196 ILE A C 1 ATOM 1470 O O . ILE A 1 195 ? 35.334 -24.617 42.735 1.00 89.62 ? 196 ILE A O 1 ATOM 1471 C CB . ILE A 1 195 ? 32.529 -26.628 43.189 1.00 101.00 ? 196 ILE A CB 1 ATOM 1472 C CG1 . ILE A 1 195 ? 31.607 -25.984 44.224 1.00 101.46 ? 196 ILE A CG1 1 ATOM 1473 C CG2 . ILE A 1 195 ? 33.567 -27.481 43.917 1.00 102.89 ? 196 ILE A CG2 1 ATOM 1474 C CD1 . ILE A 1 195 ? 30.518 -25.107 43.635 1.00 99.87 ? 196 ILE A CD1 1 ATOM 1475 N N . GLN A 1 196 ? 35.223 -26.483 41.505 1.00 95.29 ? 197 GLN A N 1 ATOM 1476 C CA . GLN A 1 196 ? 36.668 -26.668 41.434 1.00 99.35 ? 197 GLN A CA 1 ATOM 1477 C C . GLN A 1 196 ? 37.368 -25.395 40.964 1.00 97.95 ? 197 GLN A C 1 ATOM 1478 O O . GLN A 1 196 ? 36.762 -24.552 40.321 1.00 95.72 ? 197 GLN A O 1 ATOM 1479 C CB . GLN A 1 196 ? 36.997 -27.852 40.518 1.00 100.14 ? 197 GLN A CB 1 ATOM 1480 C CG . GLN A 1 196 ? 36.650 -29.214 41.133 1.00 104.45 ? 197 GLN A CG 1 ATOM 1481 C CD . GLN A 1 196 ? 35.159 -29.570 41.121 1.00 103.45 ? 197 GLN A CD 1 ATOM 1482 O OE1 . GLN A 1 196 ? 34.354 -28.987 40.387 1.00 106.53 ? 197 GLN A OE1 1 ATOM 1483 N NE2 . GLN A 1 196 ? 34.790 -30.541 41.939 1.00 104.27 ? 197 GLN A NE2 1 ATOM 1484 N N . GLU A 1 197 ? 38.639 -25.245 41.310 1.00 104.17 ? 198 GLU A N 1 ATOM 1485 C CA . GLU A 1 197 ? 39.419 -24.064 40.885 1.00 107.35 ? 198 GLU A CA 1 ATOM 1486 C C . GLU A 1 197 ? 40.006 -24.203 39.479 1.00 102.57 ? 198 GLU A C 1 ATOM 1487 O O . GLU A 1 197 ? 40.325 -23.212 38.834 1.00 100.76 ? 198 GLU A O 1 ATOM 1488 C CB . GLU A 1 197 ? 40.535 -23.760 41.891 1.00 109.04 ? 198 GLU A CB 1 ATOM 1489 C CG . GLU A 1 197 ? 40.003 -23.150 43.177 1.00 111.42 ? 198 GLU A CG 1 ATOM 1490 C CD . GLU A 1 197 ? 40.997 -23.224 44.311 1.00 115.75 ? 198 GLU A CD 1 ATOM 1491 O OE1 . GLU A 1 197 ? 42.214 -23.186 44.042 1.00 120.81 ? 198 GLU A OE1 1 ATOM 1492 O OE2 . GLU A 1 197 ? 40.557 -23.324 45.472 1.00 117.67 ? 198 GLU A OE2 1 ATOM 1493 N N . SER A 1 198 ? 40.164 -25.436 39.021 1.00 101.03 ? 199 SER A N 1 ATOM 1494 C CA . SER A 1 198 ? 40.591 -25.696 37.666 1.00 98.55 ? 199 SER A CA 1 ATOM 1495 C C . SER A 1 198 ? 39.544 -26.600 37.000 1.00 97.28 ? 199 SER A C 1 ATOM 1496 O O . SER A 1 198 ? 39.064 -27.572 37.592 1.00 92.03 ? 199 SER A O 1 ATOM 1497 C CB . SER A 1 198 ? 41.987 -26.335 37.649 1.00 98.48 ? 199 SER A CB 1 ATOM 1498 O OG . SER A 1 198 ? 42.405 -26.593 36.311 1.00 98.48 ? 199 SER A OG 1 ATOM 1499 N N . GLY A 1 199 ? 39.179 -26.252 35.771 1.00 98.15 ? 200 GLY A N 1 ATOM 1500 C CA . GLY A 1 199 ? 38.270 -27.063 34.974 1.00 92.63 ? 200 GLY A CA 1 ATOM 1501 C C . GLY A 1 199 ? 39.013 -28.021 34.073 1.00 88.97 ? 200 GLY A C 1 ATOM 1502 O O . GLY A 1 199 ? 40.240 -28.049 34.037 1.00 91.41 ? 200 GLY A O 1 ATOM 1503 N N . ARG A 1 200 ? 38.242 -28.808 33.346 1.00 87.24 ? 201 ARG A N 1 ATOM 1504 C CA . ARG A 1 200 ? 38.765 -29.778 32.397 1.00 85.74 ? 201 ARG A CA 1 ATOM 1505 C C . ARG A 1 200 ? 37.559 -30.297 31.607 1.00 79.19 ? 201 ARG A C 1 ATOM 1506 O O . ARG A 1 200 ? 36.438 -30.359 32.127 1.00 72.36 ? 201 ARG A O 1 ATOM 1507 C CB . ARG A 1 200 ? 39.536 -30.903 33.124 1.00 89.74 ? 201 ARG A CB 1 ATOM 1508 C CG . ARG A 1 200 ? 39.496 -32.285 32.475 1.00 95.21 ? 201 ARG A CG 1 ATOM 1509 C CD . ARG A 1 200 ? 40.424 -33.277 33.171 1.00 99.31 ? 201 ARG A CD 1 ATOM 1510 N NE . ARG A 1 200 ? 39.719 -34.504 33.582 1.00 107.64 ? 201 ARG A NE 1 ATOM 1511 C CZ . ARG A 1 200 ? 39.643 -34.996 34.834 1.00 111.37 ? 201 ARG A CZ 1 ATOM 1512 N NH1 . ARG A 1 200 ? 40.248 -34.395 35.856 1.00 109.78 ? 201 ARG A NH1 1 ATOM 1513 N NH2 . ARG A 1 200 ? 38.962 -36.125 35.077 1.00 107.87 ? 201 ARG A NH2 1 ATOM 1514 N N . VAL A 1 201 ? 37.786 -30.606 30.339 1.00 73.30 ? 202 VAL A N 1 ATOM 1515 C CA . VAL A 1 201 ? 36.777 -31.243 29.516 1.00 73.41 ? 202 VAL A CA 1 ATOM 1516 C C . VAL A 1 201 ? 37.469 -32.268 28.643 1.00 73.40 ? 202 VAL A C 1 ATOM 1517 O O . VAL A 1 201 ? 38.430 -31.942 27.958 1.00 68.24 ? 202 VAL A O 1 ATOM 1518 C CB . VAL A 1 201 ? 36.075 -30.233 28.607 1.00 74.14 ? 202 VAL A CB 1 ATOM 1519 C CG1 . VAL A 1 201 ? 35.192 -30.951 27.599 1.00 75.35 ? 202 VAL A CG1 1 ATOM 1520 C CG2 . VAL A 1 201 ? 35.280 -29.241 29.433 1.00 75.28 ? 202 VAL A CG2 1 ATOM 1521 N N . THR A 1 202 ? 36.988 -33.507 28.671 1.00 75.28 ? 203 THR A N 1 ATOM 1522 C CA . THR A 1 202 ? 37.573 -34.552 27.850 1.00 74.57 ? 203 THR A CA 1 ATOM 1523 C C . THR A 1 202 ? 36.476 -35.223 27.069 1.00 72.43 ? 203 THR A C 1 ATOM 1524 O O . THR A 1 202 ? 35.643 -35.927 27.618 1.00 72.13 ? 203 THR A O 1 ATOM 1525 C CB . THR A 1 202 ? 38.364 -35.600 28.659 1.00 74.15 ? 203 THR A CB 1 ATOM 1526 O OG1 . THR A 1 202 ? 39.493 -34.982 29.281 1.00 73.80 ? 203 THR A OG1 1 ATOM 1527 C CG2 . THR A 1 202 ? 38.880 -36.695 27.732 1.00 75.74 ? 203 THR A CG2 1 ATOM 1528 N N . VAL A 1 203 ? 36.512 -35.007 25.768 1.00 71.50 ? 204 VAL A N 1 ATOM 1529 C CA . VAL A 1 203 ? 35.551 -35.588 24.872 1.00 68.68 ? 204 VAL A CA 1 ATOM 1530 C C . VAL A 1 203 ? 36.253 -36.660 24.103 1.00 66.77 ? 204 VAL A C 1 ATOM 1531 O O . VAL A 1 203 ? 37.276 -36.420 23.478 1.00 69.90 ? 204 VAL A O 1 ATOM 1532 C CB . VAL A 1 203 ? 35.005 -34.534 23.915 1.00 67.80 ? 204 VAL A CB 1 ATOM 1533 C CG1 . VAL A 1 203 ? 34.082 -35.175 22.898 1.00 68.36 ? 204 VAL A CG1 1 ATOM 1534 C CG2 . VAL A 1 203 ? 34.297 -33.447 24.715 1.00 67.99 ? 204 VAL A CG2 1 ATOM 1535 N N . SER A 1 204 ? 35.695 -37.853 24.153 1.00 69.95 ? 205 SER A N 1 ATOM 1536 C CA . SER A 1 204 ? 36.340 -39.009 23.568 1.00 70.89 ? 205 SER A CA 1 ATOM 1537 C C . SER A 1 204 ? 35.376 -39.902 22.824 1.00 73.31 ? 205 SER A C 1 ATOM 1538 O O . SER A 1 204 ? 34.153 -39.830 22.991 1.00 75.19 ? 205 SER A O 1 ATOM 1539 C CB . SER A 1 204 ? 37.005 -39.816 24.657 1.00 69.49 ? 205 SER A CB 1 ATOM 1540 O OG . SER A 1 204 ? 36.081 -40.078 25.684 1.00 72.15 ? 205 SER A OG 1 ATOM 1541 N N . THR A 1 205 ? 35.968 -40.728 21.977 1.00 73.48 ? 206 THR A N 1 ATOM 1542 C CA . THR A 1 205 ? 35.297 -41.826 21.340 1.00 72.74 ? 206 THR A CA 1 ATOM 1543 C C . THR A 1 205 ? 36.222 -43.020 21.493 1.00 75.15 ? 206 THR A C 1 ATOM 1544 O O . THR A 1 205 ? 37.218 -42.932 22.199 1.00 75.63 ? 206 THR A O 1 ATOM 1545 C CB . THR A 1 205 ? 35.083 -41.517 19.869 1.00 71.34 ? 206 THR A CB 1 ATOM 1546 O OG1 . THR A 1 205 ? 36.349 -41.232 19.269 1.00 73.05 ? 206 THR A OG1 1 ATOM 1547 C CG2 . THR A 1 205 ? 34.192 -40.330 19.731 1.00 70.67 ? 206 THR A CG2 1 ATOM 1548 N N . LYS A 1 206 ? 35.895 -44.130 20.840 1.00 78.54 ? 207 LYS A N 1 ATOM 1549 C CA . LYS A 1 206 ? 36.770 -45.295 20.821 1.00 80.79 ? 207 LYS A CA 1 ATOM 1550 C C . LYS A 1 206 ? 38.101 -45.035 20.129 1.00 78.84 ? 207 LYS A C 1 ATOM 1551 O O . LYS A 1 206 ? 39.085 -45.729 20.378 1.00 79.67 ? 207 LYS A O 1 ATOM 1552 C CB . LYS A 1 206 ? 36.081 -46.455 20.112 1.00 84.33 ? 207 LYS A CB 1 ATOM 1553 C CG . LYS A 1 206 ? 34.933 -47.077 20.882 1.00 91.70 ? 207 LYS A CG 1 ATOM 1554 C CD . LYS A 1 206 ? 34.598 -48.441 20.296 1.00 98.63 ? 207 LYS A CD 1 ATOM 1555 C CE . LYS A 1 206 ? 33.133 -48.823 20.454 1.00 104.21 ? 207 LYS A CE 1 ATOM 1556 N NZ . LYS A 1 206 ? 32.563 -49.142 19.111 1.00 106.39 ? 207 LYS A NZ 1 ATOM 1557 N N . ARG A 1 207 ? 38.136 -44.040 19.263 1.00 77.19 ? 208 ARG A N 1 ATOM 1558 C CA . ARG A 1 207 ? 39.266 -43.874 18.368 1.00 82.74 ? 208 ARG A CA 1 ATOM 1559 C C . ARG A 1 207 ? 39.947 -42.512 18.494 1.00 78.55 ? 208 ARG A C 1 ATOM 1560 O O . ARG A 1 207 ? 40.943 -42.261 17.839 1.00 78.28 ? 208 ARG A O 1 ATOM 1561 C CB . ARG A 1 207 ? 38.792 -44.117 16.927 1.00 88.36 ? 208 ARG A CB 1 ATOM 1562 C CG . ARG A 1 207 ? 37.530 -43.355 16.525 1.00 88.18 ? 208 ARG A CG 1 ATOM 1563 C CD . ARG A 1 207 ? 37.172 -43.573 15.056 1.00 97.17 ? 208 ARG A CD 1 ATOM 1564 N NE . ARG A 1 207 ? 38.294 -43.266 14.146 1.00 106.10 ? 208 ARG A NE 1 ATOM 1565 C CZ . ARG A 1 207 ? 38.676 -42.040 13.757 1.00 103.34 ? 208 ARG A CZ 1 ATOM 1566 N NH1 . ARG A 1 207 ? 38.037 -40.941 14.169 1.00 100.90 ? 208 ARG A NH1 1 ATOM 1567 N NH2 . ARG A 1 207 ? 39.716 -41.906 12.938 1.00 103.64 ? 208 ARG A NH2 1 ATOM 1568 N N . SER A 1 208 ? 39.425 -41.633 19.338 1.00 77.01 ? 209 SER A N 1 ATOM 1569 C CA . SER A 1 208 ? 39.958 -40.280 19.413 1.00 75.48 ? 209 SER A CA 1 ATOM 1570 C C . SER A 1 208 ? 39.514 -39.603 20.678 1.00 71.42 ? 209 SER A C 1 ATOM 1571 O O . SER A 1 208 ? 38.533 -39.998 21.280 1.00 73.08 ? 209 SER A O 1 ATOM 1572 C CB . SER A 1 208 ? 39.497 -39.438 18.221 1.00 72.90 ? 209 SER A CB 1 ATOM 1573 O OG . SER A 1 208 ? 38.246 -38.846 18.513 1.00 72.20 ? 209 SER A OG 1 ATOM 1574 N N . GLN A 1 209 ? 40.244 -38.558 21.047 1.00 72.26 ? 210 GLN A N 1 ATOM 1575 C CA . GLN A 1 209 ? 39.996 -37.810 22.274 1.00 73.58 ? 210 GLN A CA 1 ATOM 1576 C C . GLN A 1 209 ? 40.592 -36.404 22.190 1.00 75.20 ? 210 GLN A C 1 ATOM 1577 O O . GLN A 1 209 ? 41.553 -36.161 21.465 1.00 72.91 ? 210 GLN A O 1 ATOM 1578 C CB . GLN A 1 209 ? 40.615 -38.533 23.467 1.00 72.25 ? 210 GLN A CB 1 ATOM 1579 C CG . GLN A 1 209 ? 42.094 -38.815 23.278 1.00 74.52 ? 210 GLN A CG 1 ATOM 1580 C CD . GLN A 1 209 ? 42.811 -39.173 24.554 1.00 77.36 ? 210 GLN A CD 1 ATOM 1581 O OE1 . GLN A 1 209 ? 42.218 -39.251 25.623 1.00 79.91 ? 210 GLN A OE1 1 ATOM 1582 N NE2 . GLN A 1 209 ? 44.111 -39.387 24.448 1.00 81.83 ? 210 GLN A NE2 1 ATOM 1583 N N . GLN A 1 210 ? 40.009 -35.486 22.945 1.00 76.14 ? 211 GLN A N 1 ATOM 1584 C CA . GLN A 1 210 ? 40.507 -34.133 23.026 1.00 76.73 ? 211 GLN A CA 1 ATOM 1585 C C . GLN A 1 210 ? 40.193 -33.644 24.420 1.00 79.95 ? 211 GLN A C 1 ATOM 1586 O O . GLN A 1 210 ? 39.032 -33.690 24.848 1.00 81.73 ? 211 GLN A O 1 ATOM 1587 C CB . GLN A 1 210 ? 39.814 -33.218 22.017 1.00 77.81 ? 211 GLN A CB 1 ATOM 1588 C CG . GLN A 1 210 ? 39.312 -33.887 20.751 1.00 81.96 ? 211 GLN A CG 1 ATOM 1589 C CD . GLN A 1 210 ? 38.437 -32.952 19.939 1.00 84.79 ? 211 GLN A CD 1 ATOM 1590 O OE1 . GLN A 1 210 ? 37.247 -33.215 19.731 1.00 79.80 ? 211 GLN A OE1 1 ATOM 1591 N NE2 . GLN A 1 210 ? 39.016 -31.837 19.501 1.00 87.47 ? 211 GLN A NE2 1 ATOM 1592 N N . THR A 1 211 ? 41.222 -33.188 25.124 1.00 77.54 ? 212 THR A N 1 ATOM 1593 C CA . THR A 1 211 ? 41.070 -32.633 26.445 1.00 76.43 ? 212 THR A CA 1 ATOM 1594 C C . THR A 1 211 ? 41.457 -31.152 26.409 1.00 77.78 ? 212 THR A C 1 ATOM 1595 O O . THR A 1 211 ? 42.477 -30.798 25.852 1.00 77.88 ? 212 THR A O 1 ATOM 1596 C CB . THR A 1 211 ? 41.959 -33.382 27.453 1.00 80.65 ? 212 THR A CB 1 ATOM 1597 O OG1 . THR A 1 211 ? 41.629 -34.779 27.466 1.00 79.78 ? 212 THR A OG1 1 ATOM 1598 C CG2 . THR A 1 211 ? 41.777 -32.813 28.850 1.00 83.60 ? 212 THR A CG2 1 ATOM 1599 N N . ILE A 1 212 ? 40.630 -30.287 26.985 1.00 81.71 ? 213 ILE A N 1 ATOM 1600 C CA . ILE A 1 212 ? 40.961 -28.870 27.101 1.00 82.66 ? 213 ILE A CA 1 ATOM 1601 C C . ILE A 1 212 ? 40.875 -28.404 28.552 1.00 82.14 ? 213 ILE A C 1 ATOM 1602 O O . ILE A 1 212 ? 39.960 -28.784 29.287 1.00 77.41 ? 213 ILE A O 1 ATOM 1603 C CB . ILE A 1 212 ? 40.034 -27.968 26.255 1.00 85.26 ? 213 ILE A CB 1 ATOM 1604 C CG1 . ILE A 1 212 ? 39.892 -28.491 24.813 1.00 88.90 ? 213 ILE A CG1 1 ATOM 1605 C CG2 . ILE A 1 212 ? 40.553 -26.531 26.259 1.00 87.21 ? 213 ILE A CG2 1 ATOM 1606 C CD1 . ILE A 1 212 ? 41.173 -28.521 24.005 1.00 89.36 ? 213 ILE A CD1 1 ATOM 1607 N N . ILE A 1 213 ? 41.830 -27.558 28.937 1.00 83.33 ? 214 ILE A N 1 ATOM 1608 C CA . ILE A 1 213 ? 41.879 -26.962 30.259 1.00 85.10 ? 214 ILE A CA 1 ATOM 1609 C C . ILE A 1 213 ? 41.701 -25.462 30.109 1.00 83.14 ? 214 ILE A C 1 ATOM 1610 O O . ILE A 1 213 ? 42.356 -24.846 29.284 1.00 88.75 ? 214 ILE A O 1 ATOM 1611 C CB . ILE A 1 213 ? 43.210 -27.260 30.958 1.00 92.49 ? 214 ILE A CB 1 ATOM 1612 C CG1 . ILE A 1 213 ? 43.558 -28.752 30.837 1.00 97.78 ? 214 ILE A CG1 1 ATOM 1613 C CG2 . ILE A 1 213 ? 43.142 -26.879 32.430 1.00 96.36 ? 214 ILE A CG2 1 ATOM 1614 C CD1 . ILE A 1 213 ? 44.546 -29.067 29.729 1.00 102.08 ? 214 ILE A CD1 1 ATOM 1615 N N . PRO A 1 214 ? 40.784 -24.865 30.882 1.00 82.79 ? 215 PRO A N 1 ATOM 1616 C CA . PRO A 1 214 ? 40.569 -23.425 30.725 1.00 84.58 ? 215 PRO A CA 1 ATOM 1617 C C . PRO A 1 214 ? 41.633 -22.580 31.399 1.00 85.26 ? 215 PRO A C 1 ATOM 1618 O O . PRO A 1 214 ? 42.300 -23.047 32.317 1.00 89.55 ? 215 PRO A O 1 ATOM 1619 C CB . PRO A 1 214 ? 39.195 -23.180 31.354 1.00 81.71 ? 215 PRO A CB 1 ATOM 1620 C CG . PRO A 1 214 ? 38.835 -24.409 32.084 1.00 82.50 ? 215 PRO A CG 1 ATOM 1621 C CD . PRO A 1 214 ? 39.826 -25.488 31.800 1.00 82.01 ? 215 PRO A CD 1 ATOM 1622 N N . ASN A 1 215 ? 41.743 -21.332 30.958 1.00 87.00 ? 216 ASN A N 1 ATOM 1623 C CA . ASN A 1 215 ? 42.794 -20.423 31.382 1.00 93.62 ? 216 ASN A CA 1 ATOM 1624 C C . ASN A 1 215 ? 42.152 -19.163 31.919 1.00 95.43 ? 216 ASN A C 1 ATOM 1625 O O . ASN A 1 215 ? 41.643 -18.355 31.142 1.00 95.64 ? 216 ASN A O 1 ATOM 1626 C CB . ASN A 1 215 ? 43.695 -20.111 30.200 1.00 96.08 ? 216 ASN A CB 1 ATOM 1627 C CG . ASN A 1 215 ? 44.081 -21.364 29.435 1.00 101.46 ? 216 ASN A CG 1 ATOM 1628 O OD1 . ASN A 1 215 ? 43.841 -21.489 28.223 1.00 96.56 ? 216 ASN A OD1 1 ATOM 1629 N ND2 . ASN A 1 215 ? 44.647 -22.328 30.156 1.00 105.07 ? 216 ASN A ND2 1 ATOM 1630 N N . ILE A 1 216 ? 42.145 -19.022 33.246 1.00 93.61 ? 217 ILE A N 1 ATOM 1631 C CA . ILE A 1 216 ? 41.505 -17.885 33.899 1.00 97.59 ? 217 ILE A CA 1 ATOM 1632 C C . ILE A 1 216 ? 42.200 -16.605 33.440 1.00 96.91 ? 217 ILE A C 1 ATOM 1633 O O . ILE A 1 216 ? 43.355 -16.653 33.030 1.00 98.97 ? 217 ILE A O 1 ATOM 1634 C CB . ILE A 1 216 ? 41.566 -18.004 35.444 1.00 105.74 ? 217 ILE A CB 1 ATOM 1635 C CG1 . ILE A 1 216 ? 40.693 -19.177 35.944 1.00 107.57 ? 217 ILE A CG1 1 ATOM 1636 C CG2 . ILE A 1 216 ? 41.129 -16.705 36.121 1.00 107.53 ? 217 ILE A CG2 1 ATOM 1637 C CD1 . ILE A 1 216 ? 41.415 -20.506 36.059 1.00 109.25 ? 217 ILE A CD1 1 ATOM 1638 N N . GLY A 1 217 ? 41.487 -15.478 33.461 1.00 95.43 ? 218 GLY A N 1 ATOM 1639 C CA . GLY A 1 217 ? 42.105 -14.168 33.213 1.00 98.25 ? 218 GLY A CA 1 ATOM 1640 C C . GLY A 1 217 ? 41.347 -13.245 32.271 1.00 91.85 ? 218 GLY A C 1 ATOM 1641 O O . GLY A 1 217 ? 40.514 -13.688 31.499 1.00 85.44 ? 218 GLY A O 1 ATOM 1642 N N . SER A 1 218 ? 41.667 -11.954 32.337 1.00 89.98 ? 219 SER A N 1 ATOM 1643 C CA . SER A 1 218 ? 40.989 -10.938 31.546 1.00 85.35 ? 219 SER A CA 1 ATOM 1644 C C . SER A 1 218 ? 41.485 -10.964 30.113 1.00 81.69 ? 219 SER A C 1 ATOM 1645 O O . SER A 1 218 ? 42.680 -11.040 29.877 1.00 81.18 ? 219 SER A O 1 ATOM 1646 C CB . SER A 1 218 ? 41.237 -9.539 32.130 1.00 87.05 ? 219 SER A CB 1 ATOM 1647 O OG . SER A 1 218 ? 40.668 -9.403 33.419 1.00 87.26 ? 219 SER A OG 1 ATOM 1648 N N . ARG A 1 219 ? 40.536 -10.943 29.182 1.00 80.26 ? 220 ARG A N 1 ATOM 1649 C CA . ARG A 1 219 ? 40.753 -10.580 27.784 1.00 80.87 ? 220 ARG A CA 1 ATOM 1650 C C . ARG A 1 219 ? 39.964 -9.303 27.531 1.00 80.75 ? 220 ARG A C 1 ATOM 1651 O O . ARG A 1 219 ? 39.138 -8.922 28.336 1.00 82.04 ? 220 ARG A O 1 ATOM 1652 C CB . ARG A 1 219 ? 40.231 -11.672 26.836 1.00 78.33 ? 220 ARG A CB 1 ATOM 1653 C CG . ARG A 1 219 ? 41.000 -12.988 26.866 1.00 75.88 ? 220 ARG A CG 1 ATOM 1654 C CD . ARG A 1 219 ? 40.433 -13.933 27.906 1.00 76.51 ? 220 ARG A CD 1 ATOM 1655 N NE . ARG A 1 219 ? 40.968 -15.286 27.811 1.00 73.78 ? 220 ARG A NE 1 ATOM 1656 C CZ . ARG A 1 219 ? 40.929 -16.179 28.797 1.00 73.92 ? 220 ARG A CZ 1 ATOM 1657 N NH1 . ARG A 1 219 ? 40.390 -15.877 29.972 1.00 74.06 ? 220 ARG A NH1 1 ATOM 1658 N NH2 . ARG A 1 219 ? 41.442 -17.385 28.616 1.00 75.02 ? 220 ARG A NH2 1 ATOM 1659 N N . PRO A 1 220 ? 40.195 -8.637 26.399 1.00 85.47 ? 221 PRO A N 1 ATOM 1660 C CA . PRO A 1 220 ? 39.450 -7.410 26.157 1.00 86.14 ? 221 PRO A CA 1 ATOM 1661 C C . PRO A 1 220 ? 37.943 -7.600 26.182 1.00 82.46 ? 221 PRO A C 1 ATOM 1662 O O . PRO A 1 220 ? 37.426 -8.650 25.817 1.00 74.04 ? 221 PRO A O 1 ATOM 1663 C CB . PRO A 1 220 ? 39.903 -6.995 24.764 1.00 89.60 ? 221 PRO A CB 1 ATOM 1664 C CG . PRO A 1 220 ? 41.267 -7.556 24.641 1.00 90.66 ? 221 PRO A CG 1 ATOM 1665 C CD . PRO A 1 220 ? 41.202 -8.874 25.356 1.00 88.91 ? 221 PRO A CD 1 ATOM 1666 N N . LEU A 1 221 ? 37.263 -6.558 26.631 1.00 85.42 ? 222 LEU A N 1 ATOM 1667 C CA . LEU A 1 221 ? 35.836 -6.601 26.839 1.00 83.26 ? 222 LEU A CA 1 ATOM 1668 C C . LEU A 1 221 ? 35.159 -6.700 25.493 1.00 80.09 ? 222 LEU A C 1 ATOM 1669 O O . LEU A 1 221 ? 35.489 -5.960 24.562 1.00 77.10 ? 222 LEU A O 1 ATOM 1670 C CB . LEU A 1 221 ? 35.384 -5.326 27.527 1.00 89.14 ? 222 LEU A CB 1 ATOM 1671 C CG . LEU A 1 221 ? 34.318 -5.479 28.596 1.00 93.98 ? 222 LEU A CG 1 ATOM 1672 C CD1 . LEU A 1 221 ? 34.902 -6.134 29.847 1.00 94.53 ? 222 LEU A CD1 1 ATOM 1673 C CD2 . LEU A 1 221 ? 33.773 -4.095 28.909 1.00 96.48 ? 222 LEU A CD2 1 ATOM 1674 N N . VAL A 1 222 ? 34.231 -7.635 25.378 1.00 77.43 ? 223 VAL A N 1 ATOM 1675 C CA . VAL A 1 222 ? 33.393 -7.732 24.192 1.00 76.13 ? 223 VAL A CA 1 ATOM 1676 C C . VAL A 1 222 ? 31.998 -8.026 24.691 1.00 78.68 ? 223 VAL A C 1 ATOM 1677 O O . VAL A 1 222 ? 31.807 -8.976 25.456 1.00 75.83 ? 223 VAL A O 1 ATOM 1678 C CB . VAL A 1 222 ? 33.898 -8.815 23.220 1.00 72.52 ? 223 VAL A CB 1 ATOM 1679 C CG1 . VAL A 1 222 ? 32.847 -9.136 22.174 1.00 70.46 ? 223 VAL A CG1 1 ATOM 1680 C CG2 . VAL A 1 222 ? 35.195 -8.359 22.552 1.00 70.89 ? 223 VAL A CG2 1 ATOM 1681 N N . ARG A 1 223 ? 31.051 -7.168 24.297 1.00 84.55 ? 224 ARG A N 1 ATOM 1682 C CA . ARG A 1 223 ? 29.682 -7.168 24.827 1.00 86.67 ? 224 ARG A CA 1 ATOM 1683 C C . ARG A 1 223 ? 29.676 -7.406 26.336 1.00 84.43 ? 224 ARG A C 1 ATOM 1684 O O . ARG A 1 223 ? 29.083 -8.358 26.834 1.00 86.78 ? 224 ARG A O 1 ATOM 1685 C CB . ARG A 1 223 ? 28.819 -8.196 24.078 1.00 87.34 ? 224 ARG A CB 1 ATOM 1686 C CG . ARG A 1 223 ? 28.491 -7.782 22.646 1.00 85.24 ? 224 ARG A CG 1 ATOM 1687 C CD . ARG A 1 223 ? 28.241 -8.970 21.720 1.00 84.03 ? 224 ARG A CD 1 ATOM 1688 N NE . ARG A 1 223 ? 29.224 -9.013 20.630 1.00 81.35 ? 224 ARG A NE 1 ATOM 1689 C CZ . ARG A 1 223 ? 29.959 -10.070 20.279 1.00 79.51 ? 224 ARG A CZ 1 ATOM 1690 N NH1 . ARG A 1 223 ? 29.842 -11.237 20.896 1.00 79.56 ? 224 ARG A NH1 1 ATOM 1691 N NH2 . ARG A 1 223 ? 30.816 -9.965 19.272 1.00 81.72 ? 224 ARG A NH2 1 ATOM 1692 N N . GLY A 1 224 ? 30.379 -6.533 27.048 1.00 88.99 ? 225 GLY A N 1 ATOM 1693 C CA . GLY A 1 224 ? 30.492 -6.595 28.501 1.00 85.56 ? 225 GLY A CA 1 ATOM 1694 C C . GLY A 1 224 ? 31.137 -7.849 29.064 1.00 85.16 ? 225 GLY A C 1 ATOM 1695 O O . GLY A 1 224 ? 31.025 -8.093 30.260 1.00 84.95 ? 225 GLY A O 1 ATOM 1696 N N . GLN A 1 225 ? 31.822 -8.644 28.236 1.00 82.12 ? 226 GLN A N 1 ATOM 1697 C CA . GLN A 1 225 ? 32.499 -9.849 28.739 1.00 80.54 ? 226 GLN A CA 1 ATOM 1698 C C . GLN A 1 225 ? 33.998 -9.900 28.468 1.00 80.45 ? 226 GLN A C 1 ATOM 1699 O O . GLN A 1 225 ? 34.451 -9.697 27.340 1.00 86.26 ? 226 GLN A O 1 ATOM 1700 C CB . GLN A 1 225 ? 31.847 -11.107 28.188 1.00 77.39 ? 226 GLN A CB 1 ATOM 1701 C CG . GLN A 1 225 ? 30.480 -11.367 28.770 1.00 80.61 ? 226 GLN A CG 1 ATOM 1702 C CD . GLN A 1 225 ? 30.522 -11.603 30.266 1.00 83.85 ? 226 GLN A CD 1 ATOM 1703 O OE1 . GLN A 1 225 ? 31.512 -12.107 30.823 1.00 81.96 ? 226 GLN A OE1 1 ATOM 1704 N NE2 . GLN A 1 225 ? 29.438 -11.251 30.925 1.00 85.18 ? 226 GLN A NE2 1 ATOM 1705 N N . SER A 1 226 ? 34.755 -10.170 29.523 1.00 80.08 ? 227 SER A N 1 ATOM 1706 C CA . SER A 1 226 ? 36.188 -10.382 29.431 1.00 83.66 ? 227 SER A CA 1 ATOM 1707 C C . SER A 1 226 ? 36.529 -11.861 29.542 1.00 82.16 ? 227 SER A C 1 ATOM 1708 O O . SER A 1 226 ? 37.692 -12.243 29.434 1.00 82.75 ? 227 SER A O 1 ATOM 1709 C CB . SER A 1 226 ? 36.906 -9.605 30.527 1.00 87.59 ? 227 SER A CB 1 ATOM 1710 O OG . SER A 1 226 ? 36.437 -9.987 31.807 1.00 96.40 ? 227 SER A OG 1 ATOM 1711 N N . GLY A 1 227 ? 35.518 -12.689 29.778 1.00 80.22 ? 228 GLY A N 1 ATOM 1712 C CA . GLY A 1 227 ? 35.669 -14.131 29.643 1.00 78.00 ? 228 GLY A CA 1 ATOM 1713 C C . GLY A 1 227 ? 35.503 -14.502 28.188 1.00 74.45 ? 228 GLY A C 1 ATOM 1714 O O . GLY A 1 227 ? 35.283 -13.628 27.353 1.00 73.65 ? 228 GLY A O 1 ATOM 1715 N N . ARG A 1 228 ? 35.620 -15.793 27.880 1.00 73.42 ? 229 ARG A N 1 ATOM 1716 C CA . ARG A 1 228 ? 35.515 -16.286 26.504 1.00 72.17 ? 229 ARG A CA 1 ATOM 1717 C C . ARG A 1 228 ? 35.089 -17.730 26.472 1.00 72.54 ? 229 ARG A C 1 ATOM 1718 O O . ARG A 1 228 ? 35.302 -18.470 27.431 1.00 73.25 ? 229 ARG A O 1 ATOM 1719 C CB . ARG A 1 228 ? 36.867 -16.249 25.784 1.00 72.93 ? 229 ARG A CB 1 ATOM 1720 C CG . ARG A 1 228 ? 37.443 -14.887 25.462 1.00 70.98 ? 229 ARG A CG 1 ATOM 1721 C CD . ARG A 1 228 ? 36.658 -14.170 24.397 1.00 67.78 ? 229 ARG A CD 1 ATOM 1722 N NE . ARG A 1 228 ? 37.388 -12.959 24.068 1.00 69.48 ? 229 ARG A NE 1 ATOM 1723 C CZ . ARG A 1 228 ? 37.270 -11.799 24.695 1.00 71.49 ? 229 ARG A CZ 1 ATOM 1724 N NH1 . ARG A 1 228 ? 36.420 -11.645 25.697 1.00 76.26 ? 229 ARG A NH1 1 ATOM 1725 N NH2 . ARG A 1 228 ? 38.015 -10.776 24.306 1.00 76.61 ? 229 ARG A NH2 1 ATOM 1726 N N . ILE A 1 229 ? 34.560 -18.135 25.321 1.00 70.97 ? 230 ILE A N 1 ATOM 1727 C CA . ILE A 1 229 ? 34.209 -19.510 25.077 1.00 67.45 ? 230 ILE A CA 1 ATOM 1728 C C . ILE A 1 229 ? 34.992 -20.000 23.883 1.00 68.93 ? 230 ILE A C 1 ATOM 1729 O O . ILE A 1 229 ? 35.078 -19.315 22.869 1.00 69.75 ? 230 ILE A O 1 ATOM 1730 C CB . ILE A 1 229 ? 32.712 -19.625 24.829 1.00 67.45 ? 230 ILE A CB 1 ATOM 1731 C CG1 . ILE A 1 229 ? 32.005 -19.296 26.134 1.00 73.41 ? 230 ILE A CG1 1 ATOM 1732 C CG2 . ILE A 1 229 ? 32.342 -21.023 24.365 1.00 67.11 ? 230 ILE A CG2 1 ATOM 1733 C CD1 . ILE A 1 229 ? 30.515 -19.523 26.121 1.00 75.86 ? 230 ILE A CD1 1 ATOM 1734 N N . SER A 1 230 ? 35.574 -21.188 24.013 1.00 70.46 ? 231 SER A N 1 ATOM 1735 C CA . SER A 1 230 ? 36.298 -21.811 22.923 1.00 67.40 ? 231 SER A CA 1 ATOM 1736 C C . SER A 1 230 ? 35.519 -23.005 22.422 1.00 65.11 ? 231 SER A C 1 ATOM 1737 O O . SER A 1 230 ? 35.114 -23.857 23.207 1.00 64.49 ? 231 SER A O 1 ATOM 1738 C CB . SER A 1 230 ? 37.679 -22.240 23.381 1.00 69.69 ? 231 SER A CB 1 ATOM 1739 O OG . SER A 1 230 ? 38.453 -21.106 23.722 1.00 73.37 ? 231 SER A OG 1 ATOM 1740 N N . ILE A 1 231 ? 35.333 -23.063 21.105 1.00 63.41 ? 232 ILE A N 1 ATOM 1741 C CA . ILE A 1 231 ? 34.515 -24.069 20.492 1.00 62.25 ? 232 ILE A CA 1 ATOM 1742 C C . ILE A 1 231 ? 35.301 -25.161 19.794 1.00 61.99 ? 232 ILE A C 1 ATOM 1743 O O . ILE A 1 231 ? 36.241 -24.903 19.036 1.00 68.87 ? 232 ILE A O 1 ATOM 1744 C CB . ILE A 1 231 ? 33.599 -23.451 19.447 1.00 65.37 ? 232 ILE A CB 1 ATOM 1745 C CG1 . ILE A 1 231 ? 32.753 -22.331 20.063 1.00 66.62 ? 232 ILE A CG1 1 ATOM 1746 C CG2 . ILE A 1 231 ? 32.710 -24.538 18.846 1.00 68.61 ? 232 ILE A CG2 1 ATOM 1747 C CD1 . ILE A 1 231 ? 31.722 -22.831 21.048 1.00 65.65 ? 232 ILE A CD1 1 ATOM 1748 N N . TYR A 1 232 ? 34.853 -26.387 20.025 1.00 61.11 ? 233 TYR A N 1 ATOM 1749 C CA . TYR A 1 232 ? 35.455 -27.585 19.483 1.00 59.76 ? 233 TYR A CA 1 ATOM 1750 C C . TYR A 1 232 ? 34.373 -28.444 18.869 1.00 58.61 ? 233 TYR A C 1 ATOM 1751 O O . TYR A 1 232 ? 33.180 -28.197 19.063 1.00 63.15 ? 233 TYR A O 1 ATOM 1752 C CB . TYR A 1 232 ? 36.152 -28.345 20.608 1.00 60.90 ? 233 TYR A CB 1 ATOM 1753 C CG . TYR A 1 232 ? 37.282 -27.542 21.162 1.00 62.10 ? 233 TYR A CG 1 ATOM 1754 C CD1 . TYR A 1 232 ? 37.071 -26.630 22.204 1.00 64.50 ? 233 TYR A CD1 1 ATOM 1755 C CD2 . TYR A 1 232 ? 38.557 -27.632 20.605 1.00 64.23 ? 233 TYR A CD2 1 ATOM 1756 C CE1 . TYR A 1 232 ? 38.105 -25.849 22.689 1.00 64.71 ? 233 TYR A CE1 1 ATOM 1757 C CE2 . TYR A 1 232 ? 39.601 -26.857 21.088 1.00 64.92 ? 233 TYR A CE2 1 ATOM 1758 C CZ . TYR A 1 232 ? 39.361 -25.967 22.120 1.00 65.00 ? 233 TYR A CZ 1 ATOM 1759 O OH . TYR A 1 232 ? 40.381 -25.207 22.587 1.00 68.27 ? 233 TYR A OH 1 ATOM 1760 N N . TRP A 1 233 ? 34.789 -29.444 18.112 1.00 55.87 ? 234 TRP A N 1 ATOM 1761 C CA . TRP A 1 233 ? 33.859 -30.382 17.552 1.00 55.32 ? 234 TRP A CA 1 ATOM 1762 C C . TRP A 1 233 ? 34.465 -31.774 17.556 1.00 59.56 ? 234 TRP A C 1 ATOM 1763 O O . TRP A 1 233 ? 35.673 -31.954 17.732 1.00 56.52 ? 234 TRP A O 1 ATOM 1764 C CB . TRP A 1 233 ? 33.428 -29.960 16.148 1.00 55.49 ? 234 TRP A CB 1 ATOM 1765 C CG . TRP A 1 233 ? 34.458 -30.119 15.067 1.00 59.53 ? 234 TRP A CG 1 ATOM 1766 C CD1 . TRP A 1 233 ? 34.600 -31.179 14.213 1.00 62.24 ? 234 TRP A CD1 1 ATOM 1767 C CD2 . TRP A 1 233 ? 35.459 -29.170 14.692 1.00 60.10 ? 234 TRP A CD2 1 ATOM 1768 N NE1 . TRP A 1 233 ? 35.640 -30.948 13.345 1.00 64.91 ? 234 TRP A NE1 1 ATOM 1769 C CE2 . TRP A 1 233 ? 36.183 -29.725 13.624 1.00 59.05 ? 234 TRP A CE2 1 ATOM 1770 C CE3 . TRP A 1 233 ? 35.832 -27.921 15.181 1.00 61.60 ? 234 TRP A CE3 1 ATOM 1771 C CZ2 . TRP A 1 233 ? 37.245 -29.084 13.043 1.00 61.48 ? 234 TRP A CZ2 1 ATOM 1772 C CZ3 . TRP A 1 233 ? 36.894 -27.275 14.597 1.00 64.64 ? 234 TRP A CZ3 1 ATOM 1773 C CH2 . TRP A 1 233 ? 37.596 -27.859 13.542 1.00 65.60 ? 234 TRP A CH2 1 ATOM 1774 N N . THR A 1 234 ? 33.594 -32.756 17.376 1.00 62.03 ? 235 THR A N 1 ATOM 1775 C CA . THR A 1 234 ? 33.958 -34.146 17.469 1.00 60.71 ? 235 THR A CA 1 ATOM 1776 C C . THR A 1 234 ? 33.033 -34.842 16.526 1.00 62.51 ? 235 THR A C 1 ATOM 1777 O O . THR A 1 234 ? 31.825 -34.596 16.562 1.00 66.49 ? 235 THR A O 1 ATOM 1778 C CB . THR A 1 234 ? 33.695 -34.649 18.888 1.00 62.76 ? 235 THR A CB 1 ATOM 1779 O OG1 . THR A 1 234 ? 34.365 -33.793 19.813 1.00 64.13 ? 235 THR A OG1 1 ATOM 1780 C CG2 . THR A 1 234 ? 34.167 -36.091 19.074 1.00 62.51 ? 235 THR A CG2 1 ATOM 1781 N N . ILE A 1 235 ? 33.586 -35.676 15.658 1.00 65.15 ? 236 ILE A N 1 ATOM 1782 C CA . ILE A 1 235 ? 32.769 -36.480 14.758 1.00 68.04 ? 236 ILE A CA 1 ATOM 1783 C C . ILE A 1 235 ? 32.676 -37.884 15.325 1.00 68.76 ? 236 ILE A C 1 ATOM 1784 O O . ILE A 1 235 ? 33.690 -38.467 15.709 1.00 66.96 ? 236 ILE A O 1 ATOM 1785 C CB . ILE A 1 235 ? 33.370 -36.594 13.354 1.00 69.61 ? 236 ILE A CB 1 ATOM 1786 C CG1 . ILE A 1 235 ? 33.823 -35.212 12.830 1.00 71.65 ? 236 ILE A CG1 1 ATOM 1787 C CG2 . ILE A 1 235 ? 32.375 -37.300 12.429 1.00 70.04 ? 236 ILE A CG2 1 ATOM 1788 C CD1 . ILE A 1 235 ? 32.846 -34.488 11.923 1.00 68.95 ? 236 ILE A CD1 1 ATOM 1789 N N . VAL A 1 236 ? 31.465 -38.428 15.363 1.00 66.51 ? 237 VAL A N 1 ATOM 1790 C CA . VAL A 1 236 ? 31.238 -39.729 15.963 1.00 64.94 ? 237 VAL A CA 1 ATOM 1791 C C . VAL A 1 236 ? 30.691 -40.671 14.922 1.00 68.51 ? 237 VAL A C 1 ATOM 1792 O O . VAL A 1 236 ? 29.624 -40.434 14.368 1.00 70.12 ? 237 VAL A O 1 ATOM 1793 C CB . VAL A 1 236 ? 30.233 -39.615 17.087 1.00 63.55 ? 237 VAL A CB 1 ATOM 1794 C CG1 . VAL A 1 236 ? 29.933 -40.981 17.646 1.00 69.69 ? 237 VAL A CG1 1 ATOM 1795 C CG2 . VAL A 1 236 ? 30.774 -38.696 18.164 1.00 65.74 ? 237 VAL A CG2 1 ATOM 1796 N N . LYS A 1 237 ? 31.423 -41.741 14.650 1.00 74.46 ? 238 LYS A N 1 ATOM 1797 C CA . LYS A 1 237 ? 31.034 -42.662 13.589 1.00 76.78 ? 238 LYS A CA 1 ATOM 1798 C C . LYS A 1 237 ? 29.953 -43.648 14.059 1.00 73.68 ? 238 LYS A C 1 ATOM 1799 O O . LYS A 1 237 ? 29.762 -43.867 15.252 1.00 76.29 ? 238 LYS A O 1 ATOM 1800 C CB . LYS A 1 237 ? 32.259 -43.426 13.100 1.00 83.09 ? 238 LYS A CB 1 ATOM 1801 C CG . LYS A 1 237 ? 33.302 -42.554 12.426 1.00 89.30 ? 238 LYS A CG 1 ATOM 1802 C CD . LYS A 1 237 ? 34.532 -43.375 12.039 1.00 101.14 ? 238 LYS A CD 1 ATOM 1803 C CE . LYS A 1 237 ? 35.573 -42.572 11.256 1.00 103.80 ? 238 LYS A CE 1 ATOM 1804 N NZ . LYS A 1 237 ? 35.134 -42.174 9.885 1.00 103.42 ? 238 LYS A NZ 1 ATOM 1805 N N . PRO A 1 238 ? 29.247 -44.256 13.116 1.00 68.91 ? 239 PRO A N 1 ATOM 1806 C CA . PRO A 1 238 ? 28.295 -45.310 13.444 1.00 70.62 ? 239 PRO A CA 1 ATOM 1807 C C . PRO A 1 238 ? 28.884 -46.377 14.357 1.00 73.86 ? 239 PRO A C 1 ATOM 1808 O O . PRO A 1 238 ? 30.053 -46.694 14.258 1.00 74.35 ? 239 PRO A O 1 ATOM 1809 C CB . PRO A 1 238 ? 27.968 -45.913 12.085 1.00 72.74 ? 239 PRO A CB 1 ATOM 1810 C CG . PRO A 1 238 ? 28.166 -44.775 11.123 1.00 73.18 ? 239 PRO A CG 1 ATOM 1811 C CD . PRO A 1 238 ? 29.254 -43.915 11.684 1.00 68.38 ? 239 PRO A CD 1 ATOM 1812 N N . GLY A 1 239 ? 28.090 -46.916 15.266 1.00 77.92 ? 240 GLY A N 1 ATOM 1813 C CA . GLY A 1 239 ? 28.607 -47.908 16.203 1.00 82.45 ? 240 GLY A CA 1 ATOM 1814 C C . GLY A 1 239 ? 29.473 -47.331 17.317 1.00 84.05 ? 240 GLY A C 1 ATOM 1815 O O . GLY A 1 239 ? 29.619 -47.958 18.375 1.00 82.48 ? 240 GLY A O 1 ATOM 1816 N N . ASP A 1 240 ? 30.030 -46.137 17.095 1.00 82.53 ? 241 ASP A N 1 ATOM 1817 C CA . ASP A 1 240 ? 30.919 -45.496 18.057 1.00 81.96 ? 241 ASP A CA 1 ATOM 1818 C C . ASP A 1 240 ? 30.070 -44.733 19.085 1.00 78.43 ? 241 ASP A C 1 ATOM 1819 O O . ASP A 1 240 ? 28.848 -44.693 18.993 1.00 77.06 ? 241 ASP A O 1 ATOM 1820 C CB . ASP A 1 240 ? 31.941 -44.578 17.329 1.00 82.04 ? 241 ASP A CB 1 ATOM 1821 C CG . ASP A 1 240 ? 33.369 -44.632 17.953 1.00 85.73 ? 241 ASP A CG 1 ATOM 1822 O OD1 . ASP A 1 240 ? 33.489 -44.739 19.194 1.00 91.60 ? 241 ASP A OD1 1 ATOM 1823 O OD2 . ASP A 1 240 ? 34.380 -44.563 17.215 1.00 82.72 ? 241 ASP A OD2 1 ATOM 1824 N N . ILE A 1 241 ? 30.738 -44.139 20.061 1.00 77.54 ? 242 ILE A N 1 ATOM 1825 C CA . ILE A 1 241 ? 30.112 -43.623 21.262 1.00 79.76 ? 242 ILE A CA 1 ATOM 1826 C C . ILE A 1 241 ? 30.742 -42.290 21.617 1.00 75.77 ? 242 ILE A C 1 ATOM 1827 O O . ILE A 1 241 ? 31.957 -42.187 21.700 1.00 78.28 ? 242 ILE A O 1 ATOM 1828 C CB . ILE A 1 241 ? 30.383 -44.551 22.477 1.00 84.95 ? 242 ILE A CB 1 ATOM 1829 C CG1 . ILE A 1 241 ? 29.870 -45.978 22.224 1.00 93.03 ? 242 ILE A CG1 1 ATOM 1830 C CG2 . ILE A 1 241 ? 29.784 -43.964 23.754 1.00 86.17 ? 242 ILE A CG2 1 ATOM 1831 C CD1 . ILE A 1 241 ? 30.373 -47.019 23.222 1.00 96.26 ? 242 ILE A CD1 1 ATOM 1832 N N . LEU A 1 242 ? 29.927 -41.280 21.859 1.00 71.79 ? 243 LEU A N 1 ATOM 1833 C CA . LEU A 1 242 ? 30.427 -40.038 22.409 1.00 71.28 ? 243 LEU A CA 1 ATOM 1834 C C . LEU A 1 242 ? 30.498 -40.188 23.904 1.00 75.12 ? 243 LEU A C 1 ATOM 1835 O O . LEU A 1 242 ? 29.549 -40.685 24.512 1.00 77.34 ? 243 LEU A O 1 ATOM 1836 C CB . LEU A 1 242 ? 29.474 -38.902 22.093 1.00 70.86 ? 243 LEU A CB 1 ATOM 1837 C CG . LEU A 1 242 ? 29.987 -37.522 22.483 1.00 70.75 ? 243 LEU A CG 1 ATOM 1838 C CD1 . LEU A 1 242 ? 31.167 -37.146 21.588 1.00 73.06 ? 243 LEU A CD1 1 ATOM 1839 C CD2 . LEU A 1 242 ? 28.868 -36.496 22.356 1.00 69.33 ? 243 LEU A CD2 1 ATOM 1840 N N . MET A 1 243 ? 31.601 -39.756 24.505 1.00 77.79 ? 244 MET A N 1 ATOM 1841 C CA . MET A 1 243 ? 31.692 -39.701 25.973 1.00 78.73 ? 244 MET A CA 1 ATOM 1842 C C . MET A 1 243 ? 32.239 -38.350 26.398 1.00 77.73 ? 244 MET A C 1 ATOM 1843 O O . MET A 1 243 ? 33.197 -37.855 25.811 1.00 81.12 ? 244 MET A O 1 ATOM 1844 C CB . MET A 1 243 ? 32.578 -40.811 26.526 1.00 77.86 ? 244 MET A CB 1 ATOM 1845 C CG . MET A 1 243 ? 32.567 -40.859 28.038 1.00 79.42 ? 244 MET A CG 1 ATOM 1846 S SD . MET A 1 243 ? 33.603 -42.167 28.713 1.00 85.99 ? 244 MET A SD 1 ATOM 1847 C CE . MET A 1 243 ? 32.758 -43.639 28.140 1.00 86.52 ? 244 MET A CE 1 ATOM 1848 N N . ILE A 1 244 ? 31.622 -37.750 27.410 1.00 74.61 ? 245 ILE A N 1 ATOM 1849 C CA . ILE A 1 244 ? 32.052 -36.437 27.894 1.00 72.60 ? 245 ILE A CA 1 ATOM 1850 C C . ILE A 1 244 ? 32.352 -36.522 29.388 1.00 72.93 ? 245 ILE A C 1 ATOM 1851 O O . ILE A 1 244 ? 31.570 -37.049 30.165 1.00 75.08 ? 245 ILE A O 1 ATOM 1852 C CB . ILE A 1 244 ? 31.007 -35.342 27.608 1.00 69.87 ? 245 ILE A CB 1 ATOM 1853 C CG1 . ILE A 1 244 ? 30.804 -35.186 26.097 1.00 69.97 ? 245 ILE A CG1 1 ATOM 1854 C CG2 . ILE A 1 244 ? 31.446 -34.005 28.192 1.00 69.51 ? 245 ILE A CG2 1 ATOM 1855 C CD1 . ILE A 1 244 ? 29.381 -34.842 25.703 1.00 69.43 ? 245 ILE A CD1 1 ATOM 1856 N N . ASN A 1 245 ? 33.507 -35.998 29.759 1.00 72.19 ? 246 ASN A N 1 ATOM 1857 C CA . ASN A 1 245 ? 34.038 -36.120 31.084 1.00 76.25 ? 246 ASN A CA 1 ATOM 1858 C C . ASN A 1 245 ? 34.497 -34.713 31.488 1.00 76.74 ? 246 ASN A C 1 ATOM 1859 O O . ASN A 1 245 ? 35.363 -34.114 30.847 1.00 74.33 ? 246 ASN A O 1 ATOM 1860 C CB . ASN A 1 245 ? 35.178 -37.145 31.068 1.00 78.72 ? 246 ASN A CB 1 ATOM 1861 C CG . ASN A 1 245 ? 35.656 -37.505 32.456 1.00 84.71 ? 246 ASN A CG 1 ATOM 1862 O OD1 . ASN A 1 245 ? 36.343 -36.722 33.102 1.00 82.47 ? 246 ASN A OD1 1 ATOM 1863 N ND2 . ASN A 1 245 ? 35.306 -38.700 32.918 1.00 91.10 ? 246 ASN A ND2 1 ATOM 1864 N N . SER A 1 246 ? 33.881 -34.147 32.513 1.00 78.76 ? 247 SER A N 1 ATOM 1865 C CA . SER A 1 246 ? 34.238 -32.787 32.880 1.00 78.59 ? 247 SER A CA 1 ATOM 1866 C C . SER A 1 246 ? 34.083 -32.489 34.346 1.00 79.23 ? 247 SER A C 1 ATOM 1867 O O . SER A 1 246 ? 33.197 -32.977 35.022 1.00 79.64 ? 247 SER A O 1 ATOM 1868 C CB . SER A 1 246 ? 33.451 -31.761 32.068 1.00 76.94 ? 247 SER A CB 1 ATOM 1869 O OG . SER A 1 246 ? 33.491 -30.478 32.678 1.00 75.51 ? 247 SER A OG 1 ATOM 1870 N N . ASN A 1 247 ? 34.963 -31.596 34.756 1.00 84.39 ? 248 ASN A N 1 ATOM 1871 C CA . ASN A 1 247 ? 35.275 -31.244 36.115 1.00 84.04 ? 248 ASN A CA 1 ATOM 1872 C C . ASN A 1 247 ? 34.705 -29.891 36.466 1.00 83.23 ? 248 ASN A C 1 ATOM 1873 O O . ASN A 1 247 ? 34.672 -29.498 37.625 1.00 81.11 ? 248 ASN A O 1 ATOM 1874 C CB . ASN A 1 247 ? 36.773 -31.084 36.152 1.00 87.20 ? 248 ASN A CB 1 ATOM 1875 C CG . ASN A 1 247 ? 37.347 -31.503 37.435 1.00 92.11 ? 248 ASN A CG 1 ATOM 1876 O OD1 . ASN A 1 247 ? 36.876 -31.102 38.485 1.00 104.22 ? 248 ASN A OD1 1 ATOM 1877 N ND2 . ASN A 1 247 ? 38.374 -32.329 37.371 1.00 97.01 ? 248 ASN A ND2 1 ATOM 1878 N N . GLY A 1 248 ? 34.266 -29.190 35.427 1.00 84.45 ? 249 GLY A N 1 ATOM 1879 C CA . GLY A 1 248 ? 33.929 -27.786 35.483 1.00 83.21 ? 249 GLY A CA 1 ATOM 1880 C C . GLY A 1 248 ? 34.151 -27.201 34.098 1.00 82.28 ? 249 GLY A C 1 ATOM 1881 O O . GLY A 1 248 ? 34.953 -27.718 33.309 1.00 82.06 ? 249 GLY A O 1 ATOM 1882 N N . ASN A 1 249 ? 33.424 -26.128 33.806 1.00 82.23 ? 250 ASN A N 1 ATOM 1883 C CA . ASN A 1 249 ? 33.706 -25.242 32.666 1.00 83.52 ? 250 ASN A CA 1 ATOM 1884 C C . ASN A 1 249 ? 33.167 -25.736 31.307 1.00 75.87 ? 250 ASN A C 1 ATOM 1885 O O . ASN A 1 249 ? 33.329 -25.069 30.299 1.00 69.54 ? 250 ASN A O 1 ATOM 1886 C CB . ASN A 1 249 ? 35.211 -24.888 32.580 1.00 84.53 ? 250 ASN A CB 1 ATOM 1887 C CG . ASN A 1 249 ? 35.711 -24.127 33.808 1.00 85.89 ? 250 ASN A CG 1 ATOM 1888 O OD1 . ASN A 1 249 ? 36.146 -22.981 33.712 1.00 90.43 ? 250 ASN A OD1 1 ATOM 1889 N ND2 . ASN A 1 249 ? 35.644 -24.754 34.957 1.00 87.49 ? 250 ASN A ND2 1 ATOM 1890 N N . LEU A 1 250 ? 32.480 -26.874 31.316 1.00 73.87 ? 251 LEU A N 1 ATOM 1891 C CA . LEU A 1 250 ? 31.927 -27.465 30.121 1.00 69.27 ? 251 LEU A CA 1 ATOM 1892 C C . LEU A 1 250 ? 30.771 -26.658 29.566 1.00 68.44 ? 251 LEU A C 1 ATOM 1893 O O . LEU A 1 250 ? 29.855 -26.289 30.282 1.00 74.77 ? 251 LEU A O 1 ATOM 1894 C CB . LEU A 1 250 ? 31.440 -28.878 30.426 1.00 71.17 ? 251 LEU A CB 1 ATOM 1895 C CG . LEU A 1 250 ? 30.554 -29.519 29.357 1.00 72.17 ? 251 LEU A CG 1 ATOM 1896 C CD1 . LEU A 1 250 ? 31.320 -29.630 28.051 1.00 76.27 ? 251 LEU A CD1 1 ATOM 1897 C CD2 . LEU A 1 250 ? 30.081 -30.891 29.790 1.00 71.94 ? 251 LEU A CD2 1 ATOM 1898 N N . VAL A 1 251 ? 30.829 -26.392 28.271 1.00 69.72 ? 252 VAL A N 1 ATOM 1899 C CA . VAL A 1 251 ? 29.714 -25.836 27.519 1.00 66.90 ? 252 VAL A CA 1 ATOM 1900 C C . VAL A 1 251 ? 29.286 -26.954 26.593 1.00 67.38 ? 252 VAL A C 1 ATOM 1901 O O . VAL A 1 251 ? 29.978 -27.268 25.626 1.00 65.35 ? 252 VAL A O 1 ATOM 1902 C CB . VAL A 1 251 ? 30.168 -24.634 26.702 1.00 67.83 ? 252 VAL A CB 1 ATOM 1903 C CG1 . VAL A 1 251 ? 28.989 -23.965 26.027 1.00 66.91 ? 252 VAL A CG1 1 ATOM 1904 C CG2 . VAL A 1 251 ? 30.918 -23.654 27.601 1.00 72.84 ? 252 VAL A CG2 1 ATOM 1905 N N . ALA A 1 252 ? 28.151 -27.557 26.906 1.00 66.94 ? 253 ALA A N 1 ATOM 1906 C CA . ALA A 1 252 ? 27.863 -28.905 26.479 1.00 65.48 ? 253 ALA A CA 1 ATOM 1907 C C . ALA A 1 252 ? 27.004 -28.928 25.259 1.00 63.21 ? 253 ALA A C 1 ATOM 1908 O O . ALA A 1 252 ? 26.253 -27.998 25.017 1.00 69.98 ? 253 ALA A O 1 ATOM 1909 C CB . ALA A 1 252 ? 27.141 -29.631 27.596 1.00 70.19 ? 253 ALA A CB 1 ATOM 1910 N N . PRO A 1 253 ? 27.054 -30.026 24.519 1.00 59.76 ? 254 PRO A N 1 ATOM 1911 C CA . PRO A 1 253 ? 26.212 -30.149 23.350 1.00 61.05 ? 254 PRO A CA 1 ATOM 1912 C C . PRO A 1 253 ? 24.795 -30.521 23.725 1.00 59.64 ? 254 PRO A C 1 ATOM 1913 O O . PRO A 1 253 ? 24.582 -31.194 24.718 1.00 67.37 ? 254 PRO A O 1 ATOM 1914 C CB . PRO A 1 253 ? 26.871 -31.300 22.588 1.00 63.77 ? 254 PRO A CB 1 ATOM 1915 C CG . PRO A 1 253 ? 27.427 -32.182 23.673 1.00 61.66 ? 254 PRO A CG 1 ATOM 1916 C CD . PRO A 1 253 ? 27.795 -31.270 24.804 1.00 60.81 ? 254 PRO A CD 1 ATOM 1917 N N . ARG A 1 254 ? 23.841 -30.091 22.921 1.00 59.43 ? 255 ARG A N 1 ATOM 1918 C CA . ARG A 1 254 ? 22.453 -30.480 23.072 1.00 58.74 ? 255 ARG A CA 1 ATOM 1919 C C . ARG A 1 254 ? 22.029 -31.552 22.072 1.00 59.74 ? 255 ARG A C 1 ATOM 1920 O O . ARG A 1 254 ? 20.881 -32.016 22.093 1.00 58.27 ? 255 ARG A O 1 ATOM 1921 C CB . ARG A 1 254 ? 21.571 -29.268 22.864 1.00 60.38 ? 255 ARG A CB 1 ATOM 1922 C CG . ARG A 1 254 ? 21.705 -28.215 23.934 1.00 65.28 ? 255 ARG A CG 1 ATOM 1923 C CD . ARG A 1 254 ? 20.665 -27.134 23.707 1.00 68.34 ? 255 ARG A CD 1 ATOM 1924 N NE . ARG A 1 254 ? 20.951 -25.958 24.515 1.00 69.78 ? 255 ARG A NE 1 ATOM 1925 C CZ . ARG A 1 254 ? 20.541 -25.813 25.763 1.00 77.35 ? 255 ARG A CZ 1 ATOM 1926 N NH1 . ARG A 1 254 ? 19.813 -26.771 26.323 1.00 75.47 ? 255 ARG A NH1 1 ATOM 1927 N NH2 . ARG A 1 254 ? 20.852 -24.708 26.437 1.00 79.43 ? 255 ARG A NH2 1 ATOM 1928 N N . GLY A 1 255 ? 22.935 -31.922 21.168 1.00 63.28 ? 256 GLY A N 1 ATOM 1929 C CA . GLY A 1 255 ? 22.593 -32.844 20.089 1.00 64.14 ? 256 GLY A CA 1 ATOM 1930 C C . GLY A 1 255 ? 23.583 -32.817 18.960 1.00 63.90 ? 256 GLY A C 1 ATOM 1931 O O . GLY A 1 255 ? 24.717 -32.367 19.115 1.00 67.54 ? 256 GLY A O 1 ATOM 1932 N N . TYR A 1 256 ? 23.152 -33.299 17.805 1.00 66.05 ? 257 TYR A N 1 ATOM 1933 C CA . TYR A 1 256 ? 24.065 -33.440 16.680 1.00 63.61 ? 257 TYR A CA 1 ATOM 1934 C C . TYR A 1 256 ? 23.566 -32.795 15.407 1.00 61.26 ? 257 TYR A C 1 ATOM 1935 O O . TYR A 1 256 ? 22.369 -32.642 15.197 1.00 63.16 ? 257 TYR A O 1 ATOM 1936 C CB . TYR A 1 256 ? 24.356 -34.913 16.435 1.00 66.80 ? 257 TYR A CB 1 ATOM 1937 C CG . TYR A 1 256 ? 23.173 -35.739 15.994 1.00 66.72 ? 257 TYR A CG 1 ATOM 1938 C CD1 . TYR A 1 256 ? 22.828 -35.810 14.657 1.00 67.02 ? 257 TYR A CD1 1 ATOM 1939 C CD2 . TYR A 1 256 ? 22.426 -36.474 16.903 1.00 66.46 ? 257 TYR A CD2 1 ATOM 1940 C CE1 . TYR A 1 256 ? 21.758 -36.571 14.233 1.00 67.69 ? 257 TYR A CE1 1 ATOM 1941 C CE2 . TYR A 1 256 ? 21.347 -37.237 16.483 1.00 69.52 ? 257 TYR A CE2 1 ATOM 1942 C CZ . TYR A 1 256 ? 21.025 -37.278 15.138 1.00 69.65 ? 257 TYR A CZ 1 ATOM 1943 O OH . TYR A 1 256 ? 19.973 -38.019 14.658 1.00 76.40 ? 257 TYR A OH 1 ATOM 1944 N N . PHE A 1 257 ? 24.518 -32.396 14.578 1.00 61.62 ? 258 PHE A N 1 ATOM 1945 C CA . PHE A 1 257 ? 24.263 -32.120 13.174 1.00 62.45 ? 258 PHE A CA 1 ATOM 1946 C C . PHE A 1 257 ? 24.575 -33.363 12.340 1.00 62.70 ? 258 PHE A C 1 ATOM 1947 O O . PHE A 1 257 ? 25.516 -34.109 12.599 1.00 58.22 ? 258 PHE A O 1 ATOM 1948 C CB . PHE A 1 257 ? 25.117 -30.959 12.673 1.00 61.79 ? 258 PHE A CB 1 ATOM 1949 C CG . PHE A 1 257 ? 24.911 -29.683 13.426 1.00 63.77 ? 258 PHE A CG 1 ATOM 1950 C CD1 . PHE A 1 257 ? 25.676 -29.394 14.552 1.00 61.91 ? 258 PHE A CD1 1 ATOM 1951 C CD2 . PHE A 1 257 ? 23.950 -28.769 13.017 1.00 64.69 ? 258 PHE A CD2 1 ATOM 1952 C CE1 . PHE A 1 257 ? 25.501 -28.212 15.248 1.00 60.91 ? 258 PHE A CE1 1 ATOM 1953 C CE2 . PHE A 1 257 ? 23.760 -27.589 13.726 1.00 65.99 ? 258 PHE A CE2 1 ATOM 1954 C CZ . PHE A 1 257 ? 24.539 -27.306 14.835 1.00 62.41 ? 258 PHE A CZ 1 ATOM 1955 N N . LYS A 1 258 ? 23.763 -33.557 11.319 1.00 69.95 ? 259 LYS A N 1 ATOM 1956 C CA . LYS A 1 258 ? 23.910 -34.651 10.402 1.00 71.94 ? 259 LYS A CA 1 ATOM 1957 C C . LYS A 1 258 ? 24.785 -34.151 9.265 1.00 72.98 ? 259 LYS A C 1 ATOM 1958 O O . LYS A 1 258 ? 24.482 -33.127 8.661 1.00 84.92 ? 259 LYS A O 1 ATOM 1959 C CB . LYS A 1 258 ? 22.526 -35.051 9.900 1.00 77.12 ? 259 LYS A CB 1 ATOM 1960 C CG . LYS A 1 258 ? 22.482 -36.345 9.113 1.00 87.73 ? 259 LYS A CG 1 ATOM 1961 C CD . LYS A 1 258 ? 21.053 -36.873 8.979 1.00 93.12 ? 259 LYS A CD 1 ATOM 1962 C CE . LYS A 1 258 ? 20.876 -37.608 7.653 1.00 97.41 ? 259 LYS A CE 1 ATOM 1963 N NZ . LYS A 1 258 ? 19.617 -38.400 7.600 1.00 101.78 ? 259 LYS A NZ 1 ATOM 1964 N N . LEU A 1 259 ? 25.893 -34.844 9.018 1.00 73.93 ? 260 LEU A N 1 ATOM 1965 C CA . LEU A 1 259 ? 26.740 -34.612 7.852 1.00 71.60 ? 260 LEU A CA 1 ATOM 1966 C C . LEU A 1 259 ? 26.158 -35.309 6.630 1.00 80.14 ? 260 LEU A C 1 ATOM 1967 O O . LEU A 1 259 ? 26.061 -36.533 6.577 1.00 88.41 ? 260 LEU A O 1 ATOM 1968 C CB . LEU A 1 259 ? 28.142 -35.162 8.086 1.00 70.08 ? 260 LEU A CB 1 ATOM 1969 C CG . LEU A 1 259 ? 29.257 -34.267 8.618 1.00 69.94 ? 260 LEU A CG 1 ATOM 1970 C CD1 . LEU A 1 259 ? 28.772 -32.926 9.142 1.00 74.72 ? 260 LEU A CD1 1 ATOM 1971 C CD2 . LEU A 1 259 ? 30.026 -35.006 9.692 1.00 69.59 ? 260 LEU A CD2 1 ATOM 1972 N N . ASN A 1 260 ? 25.787 -34.518 5.640 1.00 84.79 ? 261 ASN A N 1 ATOM 1973 C CA . ASN A 1 260 ? 25.383 -35.042 4.357 1.00 88.34 ? 261 ASN A CA 1 ATOM 1974 C C . ASN A 1 260 ? 26.607 -34.837 3.522 1.00 87.86 ? 261 ASN A C 1 ATOM 1975 O O . ASN A 1 260 ? 27.468 -34.032 3.869 1.00 82.13 ? 261 ASN A O 1 ATOM 1976 C CB . ASN A 1 260 ? 24.177 -34.279 3.807 1.00 87.62 ? 261 ASN A CB 1 ATOM 1977 C CG . ASN A 1 260 ? 23.156 -33.957 4.895 1.00 91.84 ? 261 ASN A CG 1 ATOM 1978 O OD1 . ASN A 1 260 ? 22.150 -34.659 5.086 1.00 86.00 ? 261 ASN A OD1 1 ATOM 1979 N ND2 . ASN A 1 260 ? 23.441 -32.905 5.650 1.00 92.67 ? 261 ASN A ND2 1 ATOM 1980 N N . THR A 1 261 ? 26.728 -35.629 2.474 1.00 97.14 ? 262 THR A N 1 ATOM 1981 C CA . THR A 1 261 ? 27.780 -35.436 1.489 1.00 98.61 ? 262 THR A CA 1 ATOM 1982 C C . THR A 1 261 ? 27.127 -34.610 0.407 1.00 89.96 ? 262 THR A C 1 ATOM 1983 O O . THR A 1 261 ? 26.183 -35.043 -0.250 1.00 80.83 ? 262 THR A O 1 ATOM 1984 C CB . THR A 1 261 ? 28.322 -36.783 0.984 1.00 103.02 ? 262 THR A CB 1 ATOM 1985 O OG1 . THR A 1 261 ? 28.945 -37.458 2.085 1.00 103.00 ? 262 THR A OG1 1 ATOM 1986 C CG2 . THR A 1 261 ? 29.331 -36.597 -0.158 1.00 106.52 ? 262 THR A CG2 1 ATOM 1987 N N . GLY A 1 262 ? 27.596 -33.386 0.263 1.00 88.35 ? 263 GLY A N 1 ATOM 1988 C CA . GLY A 1 262 ? 26.777 -32.390 -0.377 1.00 90.83 ? 263 GLY A CA 1 ATOM 1989 C C . GLY A 1 262 ? 27.438 -31.715 -1.535 1.00 80.63 ? 263 GLY A C 1 ATOM 1990 O O . GLY A 1 262 ? 28.651 -31.608 -1.605 1.00 77.29 ? 263 GLY A O 1 ATOM 1991 N N . LYS A 1 263 ? 26.598 -31.232 -2.429 1.00 76.24 ? 264 LYS A N 1 ATOM 1992 C CA . LYS A 1 263 ? 27.006 -30.232 -3.370 1.00 81.48 ? 264 LYS A CA 1 ATOM 1993 C C . LYS A 1 263 ? 27.045 -28.816 -2.751 1.00 70.84 ? 264 LYS A C 1 ATOM 1994 O O . LYS A 1 263 ? 27.031 -27.827 -3.487 1.00 68.51 ? 264 LYS A O 1 ATOM 1995 C CB . LYS A 1 263 ? 26.053 -30.254 -4.577 1.00 95.28 ? 264 LYS A CB 1 ATOM 1996 C CG . LYS A 1 263 ? 24.622 -29.738 -4.346 1.00 98.55 ? 264 LYS A CG 1 ATOM 1997 C CD . LYS A 1 263 ? 24.183 -28.848 -5.516 1.00 95.34 ? 264 LYS A CD 1 ATOM 1998 C CE . LYS A 1 263 ? 22.684 -28.887 -5.783 1.00 101.92 ? 264 LYS A CE 1 ATOM 1999 N NZ . LYS A 1 263 ? 22.318 -29.900 -6.813 1.00 101.00 ? 264 LYS A NZ 1 ATOM 2000 N N . SER A 1 264 ? 27.110 -28.696 -1.428 1.00 59.42 ? 265 SER A N 1 ATOM 2001 C CA . SER A 1 264 ? 26.813 -27.416 -0.802 1.00 53.43 ? 265 SER A CA 1 ATOM 2002 C C . SER A 1 264 ? 28.060 -26.625 -0.507 1.00 49.55 ? 265 SER A C 1 ATOM 2003 O O . SER A 1 264 ? 29.134 -27.156 -0.422 1.00 50.09 ? 265 SER A O 1 ATOM 2004 C CB . SER A 1 264 ? 25.966 -27.594 0.457 1.00 56.21 ? 265 SER A CB 1 ATOM 2005 O OG . SER A 1 264 ? 24.678 -28.068 0.097 1.00 56.21 ? 265 SER A OG 1 ATOM 2006 N N . SER A 1 265 ? 27.919 -25.321 -0.391 1.00 50.22 ? 266 SER A N 1 ATOM 2007 C CA . SER A 1 265 ? 29.071 -24.500 -0.119 1.00 50.62 ? 266 SER A CA 1 ATOM 2008 C C . SER A 1 265 ? 28.647 -23.169 0.470 1.00 48.68 ? 266 SER A C 1 ATOM 2009 O O . SER A 1 265 ? 27.479 -22.967 0.780 1.00 48.11 ? 266 SER A O 1 ATOM 2010 C CB . SER A 1 265 ? 29.862 -24.276 -1.406 1.00 52.53 ? 266 SER A CB 1 ATOM 2011 O OG . SER A 1 265 ? 31.122 -23.702 -1.127 1.00 53.39 ? 266 SER A OG 1 ATOM 2012 N N . VAL A 1 266 ? 29.633 -22.288 0.615 1.00 46.09 ? 267 VAL A N 1 ATOM 2013 C CA . VAL A 1 266 ? 29.478 -20.967 1.171 1.00 47.04 ? 267 VAL A CA 1 ATOM 2014 C C . VAL A 1 266 ? 30.388 -20.031 0.394 1.00 52.64 ? 267 VAL A C 1 ATOM 2015 O O . VAL A 1 266 ? 31.493 -20.442 -0.041 1.00 56.43 ? 267 VAL A O 1 ATOM 2016 C CB . VAL A 1 266 ? 29.889 -20.913 2.659 1.00 45.39 ? 267 VAL A CB 1 ATOM 2017 C CG1 . VAL A 1 266 ? 31.315 -21.376 2.889 1.00 40.07 ? 267 VAL A CG1 1 ATOM 2018 C CG2 . VAL A 1 266 ? 29.705 -19.513 3.214 1.00 48.73 ? 267 VAL A CG2 1 ATOM 2019 N N . MET A 1 267 ? 29.924 -18.783 0.248 1.00 54.63 ? 268 MET A N 1 ATOM 2020 C CA . MET A 1 267 ? 30.612 -17.761 -0.523 1.00 55.52 ? 268 MET A CA 1 ATOM 2021 C C . MET A 1 267 ? 30.413 -16.400 0.093 1.00 55.85 ? 268 MET A C 1 ATOM 2022 O O . MET A 1 267 ? 29.318 -16.063 0.495 1.00 58.61 ? 268 MET A O 1 ATOM 2023 C CB . MET A 1 267 ? 30.074 -17.731 -1.954 1.00 56.95 ? 268 MET A CB 1 ATOM 2024 C CG . MET A 1 267 ? 30.805 -16.744 -2.864 1.00 59.38 ? 268 MET A CG 1 ATOM 2025 S SD . MET A 1 267 ? 30.285 -16.789 -4.588 1.00 56.41 ? 268 MET A SD 1 ATOM 2026 C CE . MET A 1 267 ? 30.656 -18.469 -5.070 1.00 53.00 ? 268 MET A CE 1 ATOM 2027 N N . ARG A 1 268 ? 31.472 -15.602 0.104 1.00 58.44 ? 269 ARG A N 1 ATOM 2028 C CA . ARG A 1 268 ? 31.421 -14.240 0.612 1.00 54.71 ? 269 ARG A CA 1 ATOM 2029 C C . ARG A 1 268 ? 31.060 -13.274 -0.493 1.00 54.02 ? 269 ARG A C 1 ATOM 2030 O O . ARG A 1 268 ? 31.766 -13.169 -1.483 1.00 58.25 ? 269 ARG A O 1 ATOM 2031 C CB . ARG A 1 268 ? 32.786 -13.859 1.168 1.00 55.03 ? 269 ARG A CB 1 ATOM 2032 C CG . ARG A 1 268 ? 33.304 -14.817 2.230 1.00 57.64 ? 269 ARG A CG 1 ATOM 2033 C CD . ARG A 1 268 ? 34.484 -14.227 2.987 1.00 61.78 ? 269 ARG A CD 1 ATOM 2034 N NE . ARG A 1 268 ? 34.902 -15.120 4.066 1.00 64.33 ? 269 ARG A NE 1 ATOM 2035 C CZ . ARG A 1 268 ? 35.712 -16.166 3.923 1.00 71.73 ? 269 ARG A CZ 1 ATOM 2036 N NH1 . ARG A 1 268 ? 36.226 -16.486 2.734 1.00 78.24 ? 269 ARG A NH1 1 ATOM 2037 N NH2 . ARG A 1 268 ? 36.011 -16.909 4.978 1.00 71.60 ? 269 ARG A NH2 1 ATOM 2038 N N . SER A 1 269 ? 29.964 -12.560 -0.336 1.00 57.21 ? 270 SER A N 1 ATOM 2039 C CA . SER A 1 269 ? 29.570 -11.556 -1.337 1.00 56.88 ? 270 SER A CA 1 ATOM 2040 C C . SER A 1 269 ? 28.667 -10.496 -0.775 1.00 54.72 ? 270 SER A C 1 ATOM 2041 O O . SER A 1 269 ? 27.839 -10.792 0.060 1.00 57.60 ? 270 SER A O 1 ATOM 2042 C CB . SER A 1 269 ? 28.805 -12.205 -2.488 1.00 55.84 ? 270 SER A CB 1 ATOM 2043 O OG . SER A 1 269 ? 28.251 -11.204 -3.353 1.00 60.16 ? 270 SER A OG 1 ATOM 2044 N N . ASP A 1 270 ? 28.758 -9.284 -1.299 1.00 57.94 ? 271 ASP A N 1 ATOM 2045 C CA . ASP A 1 270 ? 27.819 -8.224 -0.930 1.00 62.26 ? 271 ASP A CA 1 ATOM 2046 C C . ASP A 1 270 ? 26.778 -7.890 -2.001 1.00 63.12 ? 271 ASP A C 1 ATOM 2047 O O . ASP A 1 270 ? 25.932 -7.039 -1.778 1.00 62.75 ? 271 ASP A O 1 ATOM 2048 C CB . ASP A 1 270 ? 28.591 -6.979 -0.512 1.00 65.60 ? 271 ASP A CB 1 ATOM 2049 C CG . ASP A 1 270 ? 29.228 -7.134 0.858 1.00 72.04 ? 271 ASP A CG 1 ATOM 2050 O OD1 . ASP A 1 270 ? 29.000 -8.178 1.514 1.00 73.75 ? 271 ASP A OD1 1 ATOM 2051 O OD2 . ASP A 1 270 ? 29.946 -6.209 1.284 1.00 78.07 ? 271 ASP A OD2 1 ATOM 2052 N N . VAL A 1 271 ? 26.789 -8.568 -3.144 1.00 64.85 ? 272 VAL A N 1 ATOM 2053 C CA . VAL A 1 271 ? 25.857 -8.170 -4.201 1.00 70.54 ? 272 VAL A CA 1 ATOM 2054 C C . VAL A 1 271 ? 24.457 -8.695 -3.874 1.00 68.30 ? 272 VAL A C 1 ATOM 2055 O O . VAL A 1 271 ? 24.308 -9.789 -3.315 1.00 67.92 ? 272 VAL A O 1 ATOM 2056 C CB . VAL A 1 271 ? 26.306 -8.622 -5.615 1.00 72.38 ? 272 VAL A CB 1 ATOM 2057 C CG1 . VAL A 1 271 ? 27.774 -8.289 -5.856 1.00 68.77 ? 272 VAL A CG1 1 ATOM 2058 C CG2 . VAL A 1 271 ? 26.056 -10.102 -5.818 1.00 73.79 ? 272 VAL A CG2 1 ATOM 2059 N N . PRO A 1 272 ? 23.423 -7.926 -4.219 1.00 67.07 ? 273 PRO A N 1 ATOM 2060 C CA . PRO A 1 272 ? 22.083 -8.360 -3.853 1.00 68.90 ? 273 PRO A CA 1 ATOM 2061 C C . PRO A 1 272 ? 21.628 -9.621 -4.595 1.00 69.93 ? 273 PRO A C 1 ATOM 2062 O O . PRO A 1 272 ? 22.126 -9.935 -5.677 1.00 76.43 ? 273 PRO A O 1 ATOM 2063 C CB . PRO A 1 272 ? 21.209 -7.153 -4.212 1.00 69.56 ? 273 PRO A CB 1 ATOM 2064 C CG . PRO A 1 272 ? 21.945 -6.434 -5.266 1.00 70.61 ? 273 PRO A CG 1 ATOM 2065 C CD . PRO A 1 272 ? 23.409 -6.740 -5.085 1.00 70.12 ? 273 PRO A CD 1 ATOM 2066 N N . ILE A 1 273 ? 20.710 -10.354 -3.982 1.00 70.52 ? 274 ILE A N 1 ATOM 2067 C CA . ILE A 1 273 ? 20.080 -11.500 -4.607 1.00 67.94 ? 274 ILE A CA 1 ATOM 2068 C C . ILE A 1 273 ? 18.825 -11.025 -5.279 1.00 69.75 ? 274 ILE A C 1 ATOM 2069 O O . ILE A 1 273 ? 18.153 -10.154 -4.771 1.00 76.30 ? 274 ILE A O 1 ATOM 2070 C CB . ILE A 1 273 ? 19.759 -12.562 -3.560 1.00 66.85 ? 274 ILE A CB 1 ATOM 2071 C CG1 . ILE A 1 273 ? 21.068 -13.247 -3.172 1.00 65.94 ? 274 ILE A CG1 1 ATOM 2072 C CG2 . ILE A 1 273 ? 18.769 -13.595 -4.100 1.00 66.87 ? 274 ILE A CG2 1 ATOM 2073 C CD1 . ILE A 1 273 ? 21.083 -13.771 -1.761 1.00 67.75 ? 274 ILE A CD1 1 ATOM 2074 N N . ASP A 1 274 ? 18.509 -11.586 -6.432 1.00 70.09 ? 275 ASP A N 1 ATOM 2075 C CA . ASP A 1 274 ? 17.407 -11.070 -7.229 1.00 74.85 ? 275 ASP A CA 1 ATOM 2076 C C . ASP A 1 274 ? 16.761 -12.212 -7.985 1.00 74.27 ? 275 ASP A C 1 ATOM 2077 O O . ASP A 1 274 ? 17.274 -13.322 -8.012 1.00 75.65 ? 275 ASP A O 1 ATOM 2078 C CB . ASP A 1 274 ? 17.912 -9.985 -8.201 1.00 80.30 ? 275 ASP A CB 1 ATOM 2079 C CG . ASP A 1 274 ? 16.877 -8.869 -8.453 1.00 87.96 ? 275 ASP A CG 1 ATOM 2080 O OD1 . ASP A 1 274 ? 15.737 -9.185 -8.841 1.00 88.98 ? 275 ASP A OD1 1 ATOM 2081 O OD2 . ASP A 1 274 ? 17.206 -7.672 -8.286 1.00 91.22 ? 275 ASP A OD2 1 ATOM 2082 N N . ILE A 1 275 ? 15.634 -11.921 -8.611 1.00 77.04 ? 276 ILE A N 1 ATOM 2083 C CA . ILE A 1 275 ? 14.807 -12.931 -9.233 1.00 77.48 ? 276 ILE A CA 1 ATOM 2084 C C . ILE A 1 275 ? 15.149 -13.116 -10.707 1.00 75.23 ? 276 ILE A C 1 ATOM 2085 O O . ILE A 1 275 ? 14.567 -12.467 -11.553 1.00 78.56 ? 276 ILE A O 1 ATOM 2086 C CB . ILE A 1 275 ? 13.321 -12.564 -9.037 1.00 78.95 ? 276 ILE A CB 1 ATOM 2087 C CG1 . ILE A 1 275 ? 12.957 -12.814 -7.570 1.00 80.48 ? 276 ILE A CG1 1 ATOM 2088 C CG2 . ILE A 1 275 ? 12.435 -13.345 -10.002 1.00 77.32 ? 276 ILE A CG2 1 ATOM 2089 C CD1 . ILE A 1 275 ? 11.569 -12.360 -7.166 1.00 87.94 ? 276 ILE A CD1 1 ATOM 2090 N N . CYS A 1 276 ? 16.102 -13.997 -10.988 1.00 70.74 ? 277 CYS A N 1 ATOM 2091 C CA . CYS A 1 276 ? 16.525 -14.344 -12.355 1.00 73.23 ? 277 CYS A CA 1 ATOM 2092 C C . CYS A 1 276 ? 16.990 -15.809 -12.364 1.00 68.77 ? 277 CYS A C 1 ATOM 2093 O O . CYS A 1 276 ? 16.848 -16.483 -11.367 1.00 75.33 ? 277 CYS A O 1 ATOM 2094 C CB . CYS A 1 276 ? 17.655 -13.423 -12.825 1.00 76.65 ? 277 CYS A CB 1 ATOM 2095 S SG . CYS A 1 276 ? 18.998 -13.154 -11.619 1.00 96.80 ? 277 CYS A SG 1 ATOM 2096 N N . VAL A 1 277 ? 17.541 -16.299 -13.469 1.00 63.88 ? 278 VAL A N 1 ATOM 2097 C CA . VAL A 1 277 ? 17.985 -17.698 -13.581 1.00 61.72 ? 278 VAL A CA 1 ATOM 2098 C C . VAL A 1 277 ? 19.417 -17.842 -14.114 1.00 58.10 ? 278 VAL A C 1 ATOM 2099 O O . VAL A 1 277 ? 19.795 -17.190 -15.058 1.00 62.63 ? 278 VAL A O 1 ATOM 2100 C CB . VAL A 1 277 ? 17.051 -18.479 -14.528 1.00 61.33 ? 278 VAL A CB 1 ATOM 2101 C CG1 . VAL A 1 277 ? 17.484 -19.942 -14.657 1.00 59.43 ? 278 VAL A CG1 1 ATOM 2102 C CG2 . VAL A 1 277 ? 15.626 -18.370 -14.030 1.00 61.99 ? 278 VAL A CG2 1 ATOM 2103 N N . SER A 1 278 ? 20.193 -18.740 -13.535 1.00 60.39 ? 279 SER A N 1 ATOM 2104 C CA . SER A 1 278 ? 21.599 -18.921 -13.904 1.00 60.33 ? 279 SER A CA 1 ATOM 2105 C C . SER A 1 278 ? 22.161 -20.157 -13.205 1.00 56.94 ? 279 SER A C 1 ATOM 2106 O O . SER A 1 278 ? 21.581 -20.621 -12.225 1.00 57.52 ? 279 SER A O 1 ATOM 2107 C CB . SER A 1 278 ? 22.402 -17.686 -13.511 1.00 61.60 ? 279 SER A CB 1 ATOM 2108 O OG . SER A 1 278 ? 23.783 -17.993 -13.425 1.00 68.68 ? 279 SER A OG 1 ATOM 2109 N N . GLU A 1 279 ? 23.286 -20.672 -13.699 1.00 56.51 ? 280 GLU A N 1 ATOM 2110 C CA . GLU A 1 279 ? 23.896 -21.903 -13.163 1.00 56.08 ? 280 GLU A CA 1 ATOM 2111 C C . GLU A 1 279 ? 25.345 -21.727 -12.729 1.00 54.59 ? 280 GLU A C 1 ATOM 2112 O O . GLU A 1 279 ? 26.020 -22.717 -12.528 1.00 60.84 ? 280 GLU A O 1 ATOM 2113 C CB . GLU A 1 279 ? 23.838 -23.029 -14.199 1.00 62.92 ? 280 GLU A CB 1 ATOM 2114 C CG . GLU A 1 279 ? 22.575 -22.995 -15.051 1.00 78.04 ? 280 GLU A CG 1 ATOM 2115 C CD . GLU A 1 279 ? 22.390 -24.231 -15.921 1.00 91.20 ? 280 GLU A CD 1 ATOM 2116 O OE1 . GLU A 1 279 ? 23.332 -24.585 -16.682 1.00 88.05 ? 280 GLU A OE1 1 ATOM 2117 O OE2 . GLU A 1 279 ? 21.278 -24.830 -15.851 1.00 94.12 ? 280 GLU A OE2 1 ATOM 2118 N N . CYS A 1 280 ? 25.830 -20.493 -12.601 1.00 53.02 ? 281 CYS A N 1 ATOM 2119 C CA . CYS A 1 280 ? 27.185 -20.224 -12.128 1.00 53.49 ? 281 CYS A CA 1 ATOM 2120 C C . CYS A 1 280 ? 27.144 -18.966 -11.321 1.00 55.39 ? 281 CYS A C 1 ATOM 2121 O O . CYS A 1 280 ? 26.617 -17.959 -11.792 1.00 57.10 ? 281 CYS A O 1 ATOM 2122 C CB . CYS A 1 280 ? 28.182 -20.011 -13.264 1.00 59.36 ? 281 CYS A CB 1 ATOM 2123 S SG . CYS A 1 280 ? 29.869 -19.611 -12.694 1.00 69.40 ? 281 CYS A SG 1 ATOM 2124 N N . ILE A 1 281 ? 27.704 -19.027 -10.114 1.00 51.63 ? 282 ILE A N 1 ATOM 2125 C CA . ILE A 1 281 ? 27.699 -17.920 -9.207 1.00 51.18 ? 282 ILE A CA 1 ATOM 2126 C C . ILE A 1 281 ? 29.098 -17.529 -8.799 1.00 51.05 ? 282 ILE A C 1 ATOM 2127 O O . ILE A 1 281 ? 29.934 -18.398 -8.528 1.00 50.55 ? 282 ILE A O 1 ATOM 2128 C CB . ILE A 1 281 ? 26.921 -18.298 -7.958 1.00 56.27 ? 282 ILE A CB 1 ATOM 2129 C CG1 . ILE A 1 281 ? 25.451 -18.473 -8.319 1.00 58.78 ? 282 ILE A CG1 1 ATOM 2130 C CG2 . ILE A 1 281 ? 27.079 -17.236 -6.884 1.00 57.03 ? 282 ILE A CG2 1 ATOM 2131 C CD1 . ILE A 1 281 ? 24.754 -19.492 -7.462 1.00 62.08 ? 282 ILE A CD1 1 ATOM 2132 N N . THR A 1 282 ? 29.331 -16.212 -8.776 1.00 51.01 ? 283 THR A N 1 ATOM 2133 C CA . THR A 1 282 ? 30.545 -15.611 -8.254 1.00 50.70 ? 283 THR A CA 1 ATOM 2134 C C . THR A 1 282 ? 30.150 -14.493 -7.310 1.00 51.77 ? 283 THR A C 1 ATOM 2135 O O . THR A 1 282 ? 29.002 -14.033 -7.353 1.00 53.39 ? 283 THR A O 1 ATOM 2136 C CB . THR A 1 282 ? 31.377 -14.931 -9.362 1.00 53.06 ? 283 THR A CB 1 ATOM 2137 O OG1 . THR A 1 282 ? 30.858 -13.620 -9.615 1.00 50.08 ? 283 THR A OG1 1 ATOM 2138 C CG2 . THR A 1 282 ? 31.370 -15.736 -10.624 1.00 53.23 ? 283 THR A CG2 1 ATOM 2139 N N . PRO A 1 283 ? 31.115 -13.996 -6.517 1.00 52.83 ? 284 PRO A N 1 ATOM 2140 C CA . PRO A 1 283 ? 30.979 -12.846 -5.617 1.00 54.66 ? 284 PRO A CA 1 ATOM 2141 C C . PRO A 1 283 ? 30.505 -11.550 -6.264 1.00 56.03 ? 284 PRO A C 1 ATOM 2142 O O . PRO A 1 283 ? 29.982 -10.667 -5.572 1.00 60.24 ? 284 PRO A O 1 ATOM 2143 C CB . PRO A 1 283 ? 32.408 -12.649 -5.101 1.00 54.90 ? 284 PRO A CB 1 ATOM 2144 C CG . PRO A 1 283 ? 32.984 -14.013 -5.117 1.00 55.75 ? 284 PRO A CG 1 ATOM 2145 C CD . PRO A 1 283 ? 32.459 -14.598 -6.396 1.00 54.47 ? 284 PRO A CD 1 ATOM 2146 N N . ASN A 1 284 ? 30.725 -11.431 -7.567 1.00 58.86 ? 285 ASN A N 1 ATOM 2147 C CA . ASN A 1 284 ? 30.295 -10.274 -8.353 1.00 61.97 ? 285 ASN A CA 1 ATOM 2148 C C . ASN A 1 284 ? 28.870 -10.421 -8.802 1.00 61.49 ? 285 ASN A C 1 ATOM 2149 O O . ASN A 1 284 ? 28.266 -9.471 -9.268 1.00 65.55 ? 285 ASN A O 1 ATOM 2150 C CB . ASN A 1 284 ? 31.149 -10.159 -9.602 1.00 60.56 ? 285 ASN A CB 1 ATOM 2151 C CG . ASN A 1 284 ? 32.624 -10.117 -9.284 1.00 66.90 ? 285 ASN A CG 1 ATOM 2152 O OD1 . ASN A 1 284 ? 33.284 -11.149 -9.106 1.00 68.86 ? 285 ASN A OD1 1 ATOM 2153 N ND2 . ASN A 1 284 ? 33.154 -8.921 -9.201 1.00 76.33 ? 285 ASN A ND2 1 ATOM 2154 N N . GLY A 1 285 ? 28.341 -11.631 -8.681 1.00 61.20 ? 286 GLY A N 1 ATOM 2155 C CA . GLY A 1 285 ? 27.007 -11.926 -9.133 1.00 60.81 ? 286 GLY A CA 1 ATOM 2156 C C . GLY A 1 285 ? 27.060 -13.158 -9.976 1.00 57.18 ? 286 GLY A C 1 ATOM 2157 O O . GLY A 1 285 ? 28.126 -13.716 -10.221 1.00 59.04 ? 286 GLY A O 1 ATOM 2158 N N . SER A 1 286 ? 25.896 -13.598 -10.403 1.00 56.28 ? 287 SER A N 1 ATOM 2159 C CA . SER A 1 286 ? 25.819 -14.711 -11.311 1.00 59.66 ? 287 SER A CA 1 ATOM 2160 C C . SER A 1 286 ? 26.425 -14.307 -12.657 1.00 60.50 ? 287 SER A C 1 ATOM 2161 O O . SER A 1 286 ? 26.402 -13.137 -13.043 1.00 61.02 ? 287 SER A O 1 ATOM 2162 C CB . SER A 1 286 ? 24.361 -15.141 -11.496 1.00 61.63 ? 287 SER A CB 1 ATOM 2163 O OG . SER A 1 286 ? 23.800 -15.535 -10.264 1.00 70.00 ? 287 SER A OG 1 ATOM 2164 N N . ILE A 1 287 ? 26.980 -15.281 -13.364 1.00 61.09 ? 288 ILE A N 1 ATOM 2165 C CA . ILE A 1 287 ? 27.460 -15.054 -14.710 1.00 58.61 ? 288 ILE A CA 1 ATOM 2166 C C . ILE A 1 287 ? 26.876 -16.063 -15.625 1.00 60.47 ? 288 ILE A C 1 ATOM 2167 O O . ILE A 1 287 ? 26.467 -17.152 -15.218 1.00 65.37 ? 288 ILE A O 1 ATOM 2168 C CB . ILE A 1 287 ? 28.987 -15.133 -14.851 1.00 57.21 ? 288 ILE A CB 1 ATOM 2169 C CG1 . ILE A 1 287 ? 29.482 -16.573 -14.736 1.00 57.38 ? 288 ILE A CG1 1 ATOM 2170 C CG2 . ILE A 1 287 ? 29.662 -14.241 -13.822 1.00 61.46 ? 288 ILE A CG2 1 ATOM 2171 C CD1 . ILE A 1 287 ? 30.983 -16.669 -14.551 1.00 57.96 ? 288 ILE A CD1 1 ATOM 2172 N N . SER A 1 288 ? 26.865 -15.677 -16.886 1.00 67.57 ? 289 SER A N 1 ATOM 2173 C CA . SER A 1 288 ? 26.424 -16.542 -17.932 1.00 64.19 ? 289 SER A CA 1 ATOM 2174 C C . SER A 1 288 ? 27.434 -17.640 -18.133 1.00 61.05 ? 289 SER A C 1 ATOM 2175 O O . SER A 1 288 ? 28.615 -17.507 -17.828 1.00 62.21 ? 289 SER A O 1 ATOM 2176 C CB . SER A 1 288 ? 26.212 -15.752 -19.223 1.00 66.43 ? 289 SER A CB 1 ATOM 2177 O OG . SER A 1 288 ? 25.987 -16.630 -20.298 1.00 71.08 ? 289 SER A OG 1 ATOM 2178 N N . ASN A 1 289 ? 26.918 -18.676 -18.762 1.00 65.81 ? 290 ASN A N 1 ATOM 2179 C CA . ASN A 1 289 ? 27.449 -20.025 -18.838 1.00 63.96 ? 290 ASN A CA 1 ATOM 2180 C C . ASN A 1 289 ? 27.874 -20.479 -20.243 1.00 60.87 ? 290 ASN A C 1 ATOM 2181 O O . ASN A 1 289 ? 28.409 -21.536 -20.404 1.00 59.35 ? 290 ASN A O 1 ATOM 2182 C CB . ASN A 1 289 ? 26.250 -20.912 -18.495 1.00 70.32 ? 290 ASN A CB 1 ATOM 2183 C CG . ASN A 1 289 ? 26.625 -22.111 -17.745 1.00 69.21 ? 290 ASN A CG 1 ATOM 2184 O OD1 . ASN A 1 289 ? 27.789 -22.317 -17.467 1.00 80.17 ? 290 ASN A OD1 1 ATOM 2185 N ND2 . ASN A 1 289 ? 25.643 -22.903 -17.374 1.00 77.04 ? 290 ASN A ND2 1 ATOM 2186 N N . ASP A 1 290 ? 27.556 -19.726 -21.278 1.00 63.40 ? 291 ASP A N 1 ATOM 2187 C CA . ASP A 1 290 ? 27.705 -20.251 -22.627 1.00 70.85 ? 291 ASP A CA 1 ATOM 2188 C C . ASP A 1 290 ? 29.152 -20.237 -23.148 1.00 65.20 ? 291 ASP A C 1 ATOM 2189 O O . ASP A 1 290 ? 29.512 -21.117 -23.904 1.00 73.42 ? 291 ASP A O 1 ATOM 2190 C CB . ASP A 1 290 ? 26.731 -19.581 -23.607 1.00 77.55 ? 291 ASP A CB 1 ATOM 2191 C CG . ASP A 1 290 ? 26.890 -18.078 -23.653 1.00 87.16 ? 291 ASP A CG 1 ATOM 2192 O OD1 . ASP A 1 290 ? 26.794 -17.430 -22.586 1.00 93.66 ? 291 ASP A OD1 1 ATOM 2193 O OD2 . ASP A 1 290 ? 27.109 -17.543 -24.761 1.00 103.56 ? 291 ASP A OD2 1 ATOM 2194 N N . LYS A 1 291 ? 29.989 -19.295 -22.718 1.00 59.05 ? 292 LYS A N 1 ATOM 2195 C CA . LYS A 1 291 ? 31.412 -19.312 -23.100 1.00 55.18 ? 292 LYS A CA 1 ATOM 2196 C C . LYS A 1 291 ? 32.254 -20.261 -22.221 1.00 57.23 ? 292 LYS A C 1 ATOM 2197 O O . LYS A 1 291 ? 31.892 -20.542 -21.075 1.00 57.82 ? 292 LYS A O 1 ATOM 2198 C CB . LYS A 1 291 ? 32.012 -17.918 -23.014 1.00 55.16 ? 292 LYS A CB 1 ATOM 2199 C CG . LYS A 1 291 ? 31.214 -16.854 -23.732 1.00 55.37 ? 292 LYS A CG 1 ATOM 2200 C CD . LYS A 1 291 ? 31.734 -15.473 -23.424 1.00 58.86 ? 292 LYS A CD 1 ATOM 2201 C CE . LYS A 1 291 ? 31.049 -14.439 -24.292 1.00 65.35 ? 292 LYS A CE 1 ATOM 2202 N NZ . LYS A 1 291 ? 29.586 -14.398 -24.073 1.00 68.23 ? 292 LYS A NZ 1 ATOM 2203 N N . PRO A 1 292 ? 33.388 -20.753 -22.755 1.00 55.85 ? 293 PRO A N 1 ATOM 2204 C CA . PRO A 1 292 ? 34.268 -21.705 -22.055 1.00 53.34 ? 293 PRO A CA 1 ATOM 2205 C C . PRO A 1 292 ? 35.197 -21.115 -20.995 1.00 55.74 ? 293 PRO A C 1 ATOM 2206 O O . PRO A 1 292 ? 35.679 -21.859 -20.125 1.00 61.90 ? 293 PRO A O 1 ATOM 2207 C CB . PRO A 1 292 ? 35.129 -22.258 -23.182 1.00 55.81 ? 293 PRO A CB 1 ATOM 2208 C CG . PRO A 1 292 ? 35.207 -21.126 -24.162 1.00 56.99 ? 293 PRO A CG 1 ATOM 2209 C CD . PRO A 1 292 ? 33.837 -20.517 -24.143 1.00 55.02 ? 293 PRO A CD 1 ATOM 2210 N N . PHE A 1 293 ? 35.462 -19.813 -21.066 1.00 51.76 ? 294 PHE A N 1 ATOM 2211 C CA . PHE A 1 293 ? 36.315 -19.142 -20.102 1.00 52.95 ? 294 PHE A CA 1 ATOM 2212 C C . PHE A 1 293 ? 35.673 -17.882 -19.527 1.00 56.04 ? 294 PHE A C 1 ATOM 2213 O O . PHE A 1 293 ? 34.743 -17.340 -20.108 1.00 57.46 ? 294 PHE A O 1 ATOM 2214 C CB . PHE A 1 293 ? 37.594 -18.723 -20.801 1.00 57.06 ? 294 PHE A CB 1 ATOM 2215 C CG . PHE A 1 293 ? 38.253 -19.826 -21.550 1.00 57.63 ? 294 PHE A CG 1 ATOM 2216 C CD1 . PHE A 1 293 ? 38.669 -20.964 -20.890 1.00 58.02 ? 294 PHE A CD1 1 ATOM 2217 C CD2 . PHE A 1 293 ? 38.469 -19.725 -22.910 1.00 60.49 ? 294 PHE A CD2 1 ATOM 2218 C CE1 . PHE A 1 293 ? 39.295 -21.987 -21.574 1.00 59.55 ? 294 PHE A CE1 1 ATOM 2219 C CE2 . PHE A 1 293 ? 39.093 -20.742 -23.606 1.00 56.40 ? 294 PHE A CE2 1 ATOM 2220 C CZ . PHE A 1 293 ? 39.503 -21.876 -22.939 1.00 59.95 ? 294 PHE A CZ 1 ATOM 2221 N N . GLN A 1 294 ? 36.205 -17.392 -18.412 1.00 55.64 ? 295 GLN A N 1 ATOM 2222 C CA . GLN A 1 294 ? 35.721 -16.151 -17.814 1.00 55.34 ? 295 GLN A CA 1 ATOM 2223 C C . GLN A 1 294 ? 36.812 -15.455 -17.040 1.00 53.32 ? 295 GLN A C 1 ATOM 2224 O O . GLN A 1 294 ? 37.773 -16.078 -16.630 1.00 59.27 ? 295 GLN A O 1 ATOM 2225 C CB . GLN A 1 294 ? 34.527 -16.420 -16.899 1.00 56.72 ? 295 GLN A CB 1 ATOM 2226 C CG . GLN A 1 294 ? 34.735 -17.502 -15.829 1.00 57.26 ? 295 GLN A CG 1 ATOM 2227 C CD . GLN A 1 294 ? 35.130 -16.992 -14.440 1.00 57.11 ? 295 GLN A CD 1 ATOM 2228 O OE1 . GLN A 1 294 ? 35.461 -17.782 -13.553 1.00 59.42 ? 295 GLN A OE1 1 ATOM 2229 N NE2 . GLN A 1 294 ? 35.114 -15.688 -14.250 1.00 53.10 ? 295 GLN A NE2 1 ATOM 2230 N N . ASN A 1 295 ? 36.639 -14.153 -16.850 1.00 53.71 ? 296 ASN A N 1 ATOM 2231 C CA . ASN A 1 295 ? 37.619 -13.272 -16.213 1.00 52.62 ? 296 ASN A CA 1 ATOM 2232 C C . ASN A 1 295 ? 37.063 -12.444 -15.008 1.00 55.14 ? 296 ASN A C 1 ATOM 2233 O O . ASN A 1 295 ? 37.705 -11.511 -14.491 1.00 57.06 ? 296 ASN A O 1 ATOM 2234 C CB . ASN A 1 295 ? 38.082 -12.338 -17.287 1.00 52.48 ? 296 ASN A CB 1 ATOM 2235 C CG . ASN A 1 295 ? 39.154 -11.420 -16.823 1.00 56.97 ? 296 ASN A CG 1 ATOM 2236 O OD1 . ASN A 1 295 ? 40.143 -11.848 -16.212 1.00 62.00 ? 296 ASN A OD1 1 ATOM 2237 N ND2 . ASN A 1 295 ? 38.978 -10.143 -17.107 1.00 58.62 ? 296 ASN A ND2 1 ATOM 2238 N N . VAL A 1 296 ? 35.854 -12.800 -14.595 1.00 53.51 ? 297 VAL A N 1 ATOM 2239 C CA . VAL A 1 296 ? 35.113 -12.151 -13.526 1.00 56.43 ? 297 VAL A CA 1 ATOM 2240 C C . VAL A 1 296 ? 35.641 -12.455 -12.116 1.00 55.31 ? 297 VAL A C 1 ATOM 2241 O O . VAL A 1 296 ? 35.894 -11.541 -11.327 1.00 57.20 ? 297 VAL A O 1 ATOM 2242 C CB . VAL A 1 296 ? 33.645 -12.591 -13.596 1.00 56.88 ? 297 VAL A CB 1 ATOM 2243 C CG1 . VAL A 1 296 ? 32.847 -11.973 -12.468 1.00 61.27 ? 297 VAL A CG1 1 ATOM 2244 C CG2 . VAL A 1 296 ? 33.052 -12.226 -14.945 1.00 55.98 ? 297 VAL A CG2 1 ATOM 2245 N N . ASN A 1 297 ? 35.805 -13.736 -11.803 1.00 52.73 ? 298 ASN A N 1 ATOM 2246 C CA . ASN A 1 297 ? 36.338 -14.128 -10.533 1.00 50.00 ? 298 ASN A CA 1 ATOM 2247 C C . ASN A 1 297 ? 36.822 -15.545 -10.484 1.00 49.02 ? 298 ASN A C 1 ATOM 2248 O O . ASN A 1 297 ? 36.187 -16.437 -11.017 1.00 49.37 ? 298 ASN A O 1 ATOM 2249 C CB . ASN A 1 297 ? 35.235 -14.020 -9.492 1.00 55.68 ? 298 ASN A CB 1 ATOM 2250 C CG . ASN A 1 297 ? 35.768 -13.665 -8.139 1.00 52.68 ? 298 ASN A CG 1 ATOM 2251 O OD1 . ASN A 1 297 ? 36.433 -14.465 -7.468 1.00 55.63 ? 298 ASN A OD1 1 ATOM 2252 N ND2 . ASN A 1 297 ? 35.502 -12.453 -7.737 1.00 55.00 ? 298 ASN A ND2 1 ATOM 2253 N N . LYS A 1 298 ? 37.922 -15.756 -9.776 1.00 52.59 ? 299 LYS A N 1 ATOM 2254 C CA . LYS A 1 298 ? 38.410 -17.094 -9.533 1.00 49.89 ? 299 LYS A CA 1 ATOM 2255 C C . LYS A 1 298 ? 37.544 -17.862 -8.564 1.00 54.65 ? 299 LYS A C 1 ATOM 2256 O O . LYS A 1 298 ? 37.613 -19.093 -8.544 1.00 51.97 ? 299 LYS A O 1 ATOM 2257 C CB . LYS A 1 298 ? 39.845 -17.067 -9.035 1.00 49.62 ? 299 LYS A CB 1 ATOM 2258 C CG . LYS A 1 298 ? 40.111 -16.357 -7.732 1.00 50.87 ? 299 LYS A CG 1 ATOM 2259 C CD . LYS A 1 298 ? 41.587 -15.948 -7.711 1.00 58.39 ? 299 LYS A CD 1 ATOM 2260 C CE . LYS A 1 298 ? 42.022 -15.231 -6.443 1.00 62.34 ? 299 LYS A CE 1 ATOM 2261 N NZ . LYS A 1 298 ? 41.200 -14.041 -6.067 1.00 67.26 ? 299 LYS A NZ 1 ATOM 2262 N N . VAL A 1 299 ? 36.752 -17.149 -7.748 1.00 55.37 ? 300 VAL A N 1 ATOM 2263 C CA . VAL A 1 299 ? 35.782 -17.795 -6.845 1.00 52.46 ? 300 VAL A CA 1 ATOM 2264 C C . VAL A 1 299 ? 34.490 -18.029 -7.595 1.00 50.79 ? 300 VAL A C 1 ATOM 2265 O O . VAL A 1 299 ? 33.789 -17.087 -7.946 1.00 50.91 ? 300 VAL A O 1 ATOM 2266 C CB . VAL A 1 299 ? 35.459 -16.935 -5.605 1.00 50.72 ? 300 VAL A CB 1 ATOM 2267 C CG1 . VAL A 1 299 ? 34.319 -17.542 -4.808 1.00 47.79 ? 300 VAL A CG1 1 ATOM 2268 C CG2 . VAL A 1 299 ? 36.683 -16.774 -4.735 1.00 50.23 ? 300 VAL A CG2 1 ATOM 2269 N N . THR A 1 300 ? 34.157 -19.284 -7.816 1.00 50.84 ? 301 THR A N 1 ATOM 2270 C CA . THR A 1 300 ? 32.932 -19.613 -8.513 1.00 55.58 ? 301 THR A CA 1 ATOM 2271 C C . THR A 1 300 ? 32.231 -20.770 -7.829 1.00 53.97 ? 301 THR A C 1 ATOM 2272 O O . THR A 1 300 ? 32.849 -21.486 -7.063 1.00 56.60 ? 301 THR A O 1 ATOM 2273 C CB . THR A 1 300 ? 33.232 -20.039 -9.955 1.00 55.00 ? 301 THR A CB 1 ATOM 2274 O OG1 . THR A 1 300 ? 33.947 -21.271 -9.932 1.00 52.25 ? 301 THR A OG1 1 ATOM 2275 C CG2 . THR A 1 300 ? 34.066 -18.990 -10.662 1.00 55.63 ? 301 THR A CG2 1 ATOM 2276 N N . TYR A 1 301 ? 30.947 -20.951 -8.128 1.00 52.55 ? 302 TYR A N 1 ATOM 2277 C CA . TYR A 1 301 ? 30.186 -22.122 -7.686 1.00 49.53 ? 302 TYR A CA 1 ATOM 2278 C C . TYR A 1 301 ? 29.163 -22.474 -8.780 1.00 50.02 ? 302 TYR A C 1 ATOM 2279 O O . TYR A 1 301 ? 28.502 -21.607 -9.333 1.00 50.30 ? 302 TYR A O 1 ATOM 2280 C CB . TYR A 1 301 ? 29.481 -21.839 -6.334 1.00 50.90 ? 302 TYR A CB 1 ATOM 2281 C CG . TYR A 1 301 ? 28.501 -22.903 -5.879 1.00 49.62 ? 302 TYR A CG 1 ATOM 2282 C CD1 . TYR A 1 301 ? 27.237 -22.973 -6.409 1.00 51.51 ? 302 TYR A CD1 1 ATOM 2283 C CD2 . TYR A 1 301 ? 28.866 -23.867 -4.947 1.00 53.46 ? 302 TYR A CD2 1 ATOM 2284 C CE1 . TYR A 1 301 ? 26.348 -23.971 -6.021 1.00 54.10 ? 302 TYR A CE1 1 ATOM 2285 C CE2 . TYR A 1 301 ? 27.988 -24.862 -4.540 1.00 49.67 ? 302 TYR A CE2 1 ATOM 2286 C CZ . TYR A 1 301 ? 26.731 -24.901 -5.080 1.00 52.54 ? 302 TYR A CZ 1 ATOM 2287 O OH . TYR A 1 301 ? 25.844 -25.870 -4.704 1.00 57.30 ? 302 TYR A OH 1 ATOM 2288 N N . GLY A 1 302 ? 29.018 -23.752 -9.074 1.00 51.48 ? 303 GLY A N 1 ATOM 2289 C CA . GLY A 1 302 ? 28.072 -24.196 -10.085 1.00 56.26 ? 303 GLY A CA 1 ATOM 2290 C C . GLY A 1 302 ? 28.757 -24.636 -11.374 1.00 58.32 ? 303 GLY A C 1 ATOM 2291 O O . GLY A 1 302 ? 29.936 -24.986 -11.375 1.00 54.68 ? 303 GLY A O 1 ATOM 2292 N N . LYS A 1 303 ? 27.987 -24.603 -12.460 1.00 59.17 ? 304 LYS A N 1 ATOM 2293 C CA . LYS A 1 303 ? 28.414 -24.996 -13.792 1.00 60.14 ? 304 LYS A CA 1 ATOM 2294 C C . LYS A 1 303 ? 29.153 -23.818 -14.433 1.00 56.41 ? 304 LYS A C 1 ATOM 2295 O O . LYS A 1 303 ? 28.549 -23.023 -15.116 1.00 54.29 ? 304 LYS A O 1 ATOM 2296 C CB . LYS A 1 303 ? 27.167 -25.370 -14.600 1.00 67.77 ? 304 LYS A CB 1 ATOM 2297 C CG . LYS A 1 303 ? 27.370 -26.518 -15.555 1.00 82.38 ? 304 LYS A CG 1 ATOM 2298 C CD . LYS A 1 303 ? 26.078 -26.941 -16.238 1.00 93.55 ? 304 LYS A CD 1 ATOM 2299 C CE . LYS A 1 303 ? 26.258 -28.291 -16.925 1.00 99.01 ? 304 LYS A CE 1 ATOM 2300 N NZ . LYS A 1 303 ? 25.137 -28.604 -17.845 1.00 105.46 ? 304 LYS A NZ 1 ATOM 2301 N N . CYS A 1 304 ? 30.458 -23.695 -14.203 1.00 61.72 ? 305 CYS A N 1 ATOM 2302 C CA . CYS A 1 304 ? 31.191 -22.446 -14.529 1.00 64.16 ? 305 CYS A CA 1 ATOM 2303 C C . CYS A 1 304 ? 32.247 -22.507 -15.649 1.00 56.65 ? 305 CYS A C 1 ATOM 2304 O O . CYS A 1 304 ? 33.001 -23.468 -15.765 1.00 56.76 ? 305 CYS A O 1 ATOM 2305 C CB . CYS A 1 304 ? 31.865 -21.907 -13.270 1.00 71.32 ? 305 CYS A CB 1 ATOM 2306 S SG . CYS A 1 304 ? 30.689 -21.391 -11.995 1.00 87.46 ? 305 CYS A SG 1 ATOM 2307 N N . PRO A 1 305 ? 32.324 -21.452 -16.467 1.00 54.92 ? 306 PRO A N 1 ATOM 2308 C CA . PRO A 1 305 ? 33.463 -21.369 -17.360 1.00 53.89 ? 306 PRO A CA 1 ATOM 2309 C C . PRO A 1 305 ? 34.730 -21.243 -16.523 1.00 54.77 ? 306 PRO A C 1 ATOM 2310 O O . PRO A 1 305 ? 34.673 -20.803 -15.375 1.00 54.49 ? 306 PRO A O 1 ATOM 2311 C CB . PRO A 1 305 ? 33.211 -20.072 -18.144 1.00 55.09 ? 306 PRO A CB 1 ATOM 2312 C CG . PRO A 1 305 ? 31.802 -19.692 -17.874 1.00 54.40 ? 306 PRO A CG 1 ATOM 2313 C CD . PRO A 1 305 ? 31.501 -20.236 -16.521 1.00 55.31 ? 306 PRO A CD 1 ATOM 2314 N N . LYS A 1 306 ? 35.868 -21.584 -17.106 1.00 55.02 ? 307 LYS A N 1 ATOM 2315 C CA . LYS A 1 306 ? 37.106 -21.623 -16.362 1.00 50.10 ? 307 LYS A CA 1 ATOM 2316 C C . LYS A 1 306 ? 37.722 -20.242 -16.302 1.00 47.78 ? 307 LYS A C 1 ATOM 2317 O O . LYS A 1 306 ? 37.771 -19.530 -17.283 1.00 48.60 ? 307 LYS A O 1 ATOM 2318 C CB . LYS A 1 306 ? 38.053 -22.638 -16.984 1.00 56.61 ? 307 LYS A CB 1 ATOM 2319 C CG . LYS A 1 306 ? 37.351 -23.941 -17.342 1.00 63.66 ? 307 LYS A CG 1 ATOM 2320 C CD . LYS A 1 306 ? 38.310 -25.020 -17.805 1.00 72.52 ? 307 LYS A CD 1 ATOM 2321 C CE . LYS A 1 306 ? 37.602 -26.366 -17.784 1.00 77.20 ? 307 LYS A CE 1 ATOM 2322 N NZ . LYS A 1 306 ? 36.608 -26.464 -18.876 1.00 75.40 ? 307 LYS A NZ 1 ATOM 2323 N N . TYR A 1 307 ? 38.180 -19.873 -15.119 1.00 51.49 ? 308 TYR A N 1 ATOM 2324 C CA . TYR A 1 307 ? 38.719 -18.570 -14.877 1.00 51.04 ? 308 TYR A CA 1 ATOM 2325 C C . TYR A 1 307 ? 40.082 -18.469 -15.506 1.00 53.93 ? 308 TYR A C 1 ATOM 2326 O O . TYR A 1 307 ? 40.925 -19.313 -15.224 1.00 55.28 ? 308 TYR A O 1 ATOM 2327 C CB . TYR A 1 307 ? 38.857 -18.323 -13.380 1.00 49.78 ? 308 TYR A CB 1 ATOM 2328 C CG . TYR A 1 307 ? 39.436 -16.959 -13.101 1.00 51.20 ? 308 TYR A CG 1 ATOM 2329 C CD1 . TYR A 1 307 ? 38.644 -15.827 -13.164 1.00 49.61 ? 308 TYR A CD1 1 ATOM 2330 C CD2 . TYR A 1 307 ? 40.776 -16.796 -12.841 1.00 49.59 ? 308 TYR A CD2 1 ATOM 2331 C CE1 . TYR A 1 307 ? 39.169 -14.568 -12.943 1.00 49.17 ? 308 TYR A CE1 1 ATOM 2332 C CE2 . TYR A 1 307 ? 41.309 -15.545 -12.626 1.00 50.15 ? 308 TYR A CE2 1 ATOM 2333 C CZ . TYR A 1 307 ? 40.499 -14.431 -12.680 1.00 49.88 ? 308 TYR A CZ 1 ATOM 2334 O OH . TYR A 1 307 ? 41.031 -13.179 -12.456 1.00 49.94 ? 308 TYR A OH 1 ATOM 2335 N N . ILE A 1 308 ? 40.305 -17.426 -16.316 1.00 53.21 ? 309 ILE A N 1 ATOM 2336 C CA . ILE A 1 308 ? 41.646 -17.122 -16.869 1.00 53.48 ? 309 ILE A CA 1 ATOM 2337 C C . ILE A 1 308 ? 41.988 -15.646 -16.738 1.00 49.88 ? 309 ILE A C 1 ATOM 2338 O O . ILE A 1 308 ? 41.123 -14.837 -16.434 1.00 54.38 ? 309 ILE A O 1 ATOM 2339 C CB . ILE A 1 308 ? 41.776 -17.526 -18.349 1.00 54.96 ? 309 ILE A CB 1 ATOM 2340 C CG1 . ILE A 1 308 ? 40.859 -16.682 -19.227 1.00 59.28 ? 309 ILE A CG1 1 ATOM 2341 C CG2 . ILE A 1 308 ? 41.464 -18.996 -18.543 1.00 53.76 ? 309 ILE A CG2 1 ATOM 2342 C CD1 . ILE A 1 308 ? 40.867 -17.097 -20.679 1.00 59.43 ? 309 ILE A CD1 1 ATOM 2343 N N . ARG A 1 309 ? 43.247 -15.298 -16.954 1.00 50.50 ? 310 ARG A N 1 ATOM 2344 C CA . ARG A 1 309 ? 43.708 -13.912 -16.773 1.00 58.71 ? 310 ARG A CA 1 ATOM 2345 C C . ARG A 1 309 ? 43.347 -12.928 -17.894 1.00 56.72 ? 310 ARG A C 1 ATOM 2346 O O . ARG A 1 309 ? 43.363 -11.727 -17.684 1.00 58.75 ? 310 ARG A O 1 ATOM 2347 C CB . ARG A 1 309 ? 45.216 -13.889 -16.559 1.00 64.56 ? 310 ARG A CB 1 ATOM 2348 C CG . ARG A 1 309 ? 45.643 -14.740 -15.384 1.00 71.07 ? 310 ARG A CG 1 ATOM 2349 C CD . ARG A 1 309 ? 46.894 -14.202 -14.714 1.00 81.42 ? 310 ARG A CD 1 ATOM 2350 N NE . ARG A 1 309 ? 47.369 -15.065 -13.616 1.00 84.48 ? 310 ARG A NE 1 ATOM 2351 C CZ . ARG A 1 309 ? 46.804 -15.186 -12.408 1.00 78.23 ? 310 ARG A CZ 1 ATOM 2352 N NH1 . ARG A 1 309 ? 45.693 -14.514 -12.081 1.00 74.07 ? 310 ARG A NH1 1 ATOM 2353 N NH2 . ARG A 1 309 ? 47.359 -16.013 -11.516 1.00 76.07 ? 310 ARG A NH2 1 ATOM 2354 N N . GLN A 1 310 ? 43.020 -13.446 -19.071 1.00 57.34 ? 311 GLN A N 1 ATOM 2355 C CA . GLN A 1 310 ? 42.685 -12.626 -20.230 1.00 55.67 ? 311 GLN A CA 1 ATOM 2356 C C . GLN A 1 310 ? 41.233 -12.169 -20.146 1.00 58.80 ? 311 GLN A C 1 ATOM 2357 O O . GLN A 1 310 ? 40.357 -12.943 -19.743 1.00 58.06 ? 311 GLN A O 1 ATOM 2358 C CB . GLN A 1 310 ? 42.858 -13.423 -21.531 1.00 53.89 ? 311 GLN A CB 1 ATOM 2359 C CG . GLN A 1 310 ? 44.229 -14.016 -21.782 1.00 53.95 ? 311 GLN A CG 1 ATOM 2360 C CD . GLN A 1 310 ? 44.329 -15.480 -21.401 1.00 55.83 ? 311 GLN A CD 1 ATOM 2361 O OE1 . GLN A 1 310 ? 43.751 -15.919 -20.423 1.00 58.43 ? 311 GLN A OE1 1 ATOM 2362 N NE2 . GLN A 1 310 ? 45.083 -16.233 -22.164 1.00 59.28 ? 311 GLN A NE2 1 ATOM 2363 N N . ASN A 1 311 ? 40.971 -10.933 -20.558 1.00 59.34 ? 312 ASN A N 1 ATOM 2364 C CA . ASN A 1 311 ? 39.611 -10.401 -20.533 1.00 63.24 ? 312 ASN A CA 1 ATOM 2365 C C . ASN A 1 311 ? 38.914 -10.555 -21.877 1.00 60.91 ? 312 ASN A C 1 ATOM 2366 O O . ASN A 1 311 ? 37.713 -10.328 -21.973 1.00 60.56 ? 312 ASN A O 1 ATOM 2367 C CB . ASN A 1 311 ? 39.597 -8.930 -20.108 1.00 69.18 ? 312 ASN A CB 1 ATOM 2368 C CG . ASN A 1 311 ? 40.318 -8.055 -21.085 1.00 78.15 ? 312 ASN A CG 1 ATOM 2369 O OD1 . ASN A 1 311 ? 39.706 -7.409 -21.923 1.00 92.67 ? 312 ASN A OD1 1 ATOM 2370 N ND2 . ASN A 1 311 ? 41.633 -8.074 -21.026 1.00 85.47 ? 312 ASN A ND2 1 ATOM 2371 N N . THR A 1 312 ? 39.663 -10.932 -22.907 1.00 59.58 ? 313 THR A N 1 ATOM 2372 C CA . THR A 1 312 ? 39.088 -11.174 -24.226 1.00 62.33 ? 313 THR A CA 1 ATOM 2373 C C . THR A 1 312 ? 39.882 -12.219 -25.028 1.00 60.35 ? 313 THR A C 1 ATOM 2374 O O . THR A 1 312 ? 41.113 -12.235 -24.965 1.00 57.51 ? 313 THR A O 1 ATOM 2375 C CB . THR A 1 312 ? 38.986 -9.879 -25.068 1.00 64.30 ? 313 THR A CB 1 ATOM 2376 O OG1 . THR A 1 312 ? 38.519 -10.210 -26.373 1.00 70.68 ? 313 THR A OG1 1 ATOM 2377 C CG2 . THR A 1 312 ? 40.329 -9.194 -25.245 1.00 66.54 ? 313 THR A CG2 1 ATOM 2378 N N . LEU A 1 313 ? 39.161 -13.086 -25.749 1.00 56.40 ? 314 LEU A N 1 ATOM 2379 C CA . LEU A 1 313 ? 39.743 -14.025 -26.711 1.00 57.35 ? 314 LEU A CA 1 ATOM 2380 C C . LEU A 1 313 ? 38.788 -14.292 -27.866 1.00 60.60 ? 314 LEU A C 1 ATOM 2381 O O . LEU A 1 313 ? 37.657 -14.737 -27.666 1.00 62.89 ? 314 LEU A O 1 ATOM 2382 C CB . LEU A 1 313 ? 40.062 -15.361 -26.076 1.00 54.62 ? 314 LEU A CB 1 ATOM 2383 C CG . LEU A 1 313 ? 41.191 -15.384 -25.071 1.00 55.85 ? 314 LEU A CG 1 ATOM 2384 C CD1 . LEU A 1 313 ? 41.282 -16.771 -24.435 1.00 54.76 ? 314 LEU A CD1 1 ATOM 2385 C CD2 . LEU A 1 313 ? 42.490 -14.981 -25.748 1.00 55.27 ? 314 LEU A CD2 1 ATOM 2386 N N . LYS A 1 314 ? 39.259 -14.056 -29.078 1.00 59.28 ? 315 LYS A N 1 ATOM 2387 C CA . LYS A 1 314 ? 38.382 -14.099 -30.222 1.00 60.18 ? 315 LYS A CA 1 ATOM 2388 C C . LYS A 1 314 ? 38.620 -15.351 -31.040 1.00 58.38 ? 315 LYS A C 1 ATOM 2389 O O . LYS A 1 314 ? 39.737 -15.626 -31.447 1.00 56.27 ? 315 LYS A O 1 ATOM 2390 C CB . LYS A 1 314 ? 38.633 -12.859 -31.046 1.00 64.58 ? 315 LYS A CB 1 ATOM 2391 C CG . LYS A 1 314 ? 38.198 -11.590 -30.341 1.00 67.20 ? 315 LYS A CG 1 ATOM 2392 C CD . LYS A 1 314 ? 36.688 -11.418 -30.439 1.00 72.90 ? 315 LYS A CD 1 ATOM 2393 C CE . LYS A 1 314 ? 36.241 -10.125 -29.790 1.00 80.36 ? 315 LYS A CE 1 ATOM 2394 N NZ . LYS A 1 314 ? 35.490 -9.279 -30.749 1.00 86.46 ? 315 LYS A NZ 1 ATOM 2395 N N . LEU A 1 315 ? 37.563 -16.119 -31.258 1.00 58.38 ? 316 LEU A N 1 ATOM 2396 C CA . LEU A 1 315 ? 37.637 -17.341 -32.060 1.00 59.45 ? 316 LEU A CA 1 ATOM 2397 C C . LEU A 1 315 ? 36.969 -17.141 -33.424 1.00 59.76 ? 316 LEU A C 1 ATOM 2398 O O . LEU A 1 315 ? 35.759 -16.910 -33.506 1.00 61.49 ? 316 LEU A O 1 ATOM 2399 C CB . LEU A 1 315 ? 36.925 -18.472 -31.331 1.00 58.26 ? 316 LEU A CB 1 ATOM 2400 C CG . LEU A 1 315 ? 36.831 -19.794 -32.103 1.00 57.30 ? 316 LEU A CG 1 ATOM 2401 C CD1 . LEU A 1 315 ? 38.106 -20.585 -31.928 1.00 56.70 ? 316 LEU A CD1 1 ATOM 2402 C CD2 . LEU A 1 315 ? 35.632 -20.601 -31.641 1.00 56.46 ? 316 LEU A CD2 1 ATOM 2403 N N . ALA A 1 316 ? 37.741 -17.253 -34.496 1.00 60.97 ? 317 ALA A N 1 ATOM 2404 C CA . ALA A 1 316 ? 37.196 -17.057 -35.849 1.00 58.97 ? 317 ALA A CA 1 ATOM 2405 C C . ALA A 1 316 ? 36.099 -18.050 -36.109 1.00 57.98 ? 317 ALA A C 1 ATOM 2406 O O . ALA A 1 316 ? 36.198 -19.185 -35.672 1.00 66.17 ? 317 ALA A O 1 ATOM 2407 C CB . ALA A 1 316 ? 38.286 -17.217 -36.880 1.00 59.46 ? 317 ALA A CB 1 ATOM 2408 N N . THR A 1 317 ? 35.042 -17.606 -36.772 1.00 59.62 ? 318 THR A N 1 ATOM 2409 C CA . THR A 1 317 ? 33.939 -18.475 -37.228 1.00 63.52 ? 318 THR A CA 1 ATOM 2410 C C . THR A 1 317 ? 33.643 -18.233 -38.693 1.00 63.97 ? 318 THR A C 1 ATOM 2411 O O . THR A 1 317 ? 32.538 -18.505 -39.151 1.00 68.86 ? 318 THR A O 1 ATOM 2412 C CB . THR A 1 317 ? 32.622 -18.218 -36.451 1.00 67.07 ? 318 THR A CB 1 ATOM 2413 O OG1 . THR A 1 317 ? 32.384 -16.797 -36.320 1.00 66.63 ? 318 THR A OG1 1 ATOM 2414 C CG2 . THR A 1 317 ? 32.692 -18.873 -35.081 1.00 67.52 ? 318 THR A CG2 1 ATOM 2415 N N . GLY A 1 318 ? 34.630 -17.694 -39.402 1.00 60.54 ? 319 GLY A N 1 ATOM 2416 C CA . GLY A 1 318 ? 34.545 -17.445 -40.818 1.00 59.85 ? 319 GLY A CA 1 ATOM 2417 C C . GLY A 1 318 ? 35.928 -17.309 -41.432 1.00 61.11 ? 319 GLY A C 1 ATOM 2418 O O . GLY A 1 318 ? 36.944 -17.266 -40.745 1.00 58.85 ? 319 GLY A O 1 ATOM 2419 N N . MET A 1 319 ? 35.955 -17.215 -42.744 1.00 63.37 ? 320 MET A N 1 ATOM 2420 C CA . MET A 1 319 ? 37.207 -17.127 -43.470 1.00 62.75 ? 320 MET A CA 1 ATOM 2421 C C . MET A 1 319 ? 37.831 -15.749 -43.368 1.00 63.15 ? 320 MET A C 1 ATOM 2422 O O . MET A 1 319 ? 37.204 -14.783 -42.955 1.00 62.92 ? 320 MET A O 1 ATOM 2423 C CB . MET A 1 319 ? 36.982 -17.448 -44.944 1.00 62.27 ? 320 MET A CB 1 ATOM 2424 C CG . MET A 1 319 ? 36.200 -16.381 -45.677 1.00 62.33 ? 320 MET A CG 1 ATOM 2425 S SD . MET A 1 319 ? 35.862 -16.889 -47.359 1.00 68.04 ? 320 MET A SD 1 ATOM 2426 C CE . MET A 1 319 ? 34.615 -18.140 -47.046 1.00 67.74 ? 320 MET A CE 1 ATOM 2427 N N . ARG A 1 320 ? 39.091 -15.690 -43.761 1.00 64.87 ? 321 ARG A N 1 ATOM 2428 C CA . ARG A 1 320 ? 39.804 -14.447 -43.949 1.00 67.72 ? 321 ARG A CA 1 ATOM 2429 C C . ARG A 1 320 ? 38.931 -13.486 -44.770 1.00 66.13 ? 321 ARG A C 1 ATOM 2430 O O . ARG A 1 320 ? 38.464 -13.843 -45.839 1.00 63.84 ? 321 ARG A O 1 ATOM 2431 C CB . ARG A 1 320 ? 41.124 -14.776 -44.664 1.00 69.60 ? 321 ARG A CB 1 ATOM 2432 C CG . ARG A 1 320 ? 41.892 -13.599 -45.229 1.00 74.62 ? 321 ARG A CG 1 ATOM 2433 C CD . ARG A 1 320 ? 42.597 -12.810 -44.157 1.00 75.25 ? 321 ARG A CD 1 ATOM 2434 N NE . ARG A 1 320 ? 43.291 -11.676 -44.745 1.00 78.50 ? 321 ARG A NE 1 ATOM 2435 C CZ . ARG A 1 320 ? 44.442 -11.779 -45.402 1.00 83.14 ? 321 ARG A CZ 1 ATOM 2436 N NH1 . ARG A 1 320 ? 45.036 -12.962 -45.557 1.00 84.13 ? 321 ARG A NH1 1 ATOM 2437 N NH2 . ARG A 1 320 ? 45.008 -10.696 -45.909 1.00 81.60 ? 321 ARG A NH2 1 ATOM 2438 N N . ASN A 1 321 ? 38.695 -12.282 -44.253 1.00 68.20 ? 322 ASN A N 1 ATOM 2439 C CA . ASN A 1 321 ? 37.873 -11.273 -44.939 1.00 67.35 ? 322 ASN A CA 1 ATOM 2440 C C . ASN A 1 321 ? 38.778 -10.367 -45.750 1.00 70.46 ? 322 ASN A C 1 ATOM 2441 O O . ASN A 1 321 ? 39.712 -9.763 -45.196 1.00 65.01 ? 322 ASN A O 1 ATOM 2442 C CB . ASN A 1 321 ? 37.091 -10.444 -43.935 1.00 65.16 ? 322 ASN A CB 1 ATOM 2443 C CG . ASN A 1 321 ? 36.083 -9.502 -44.584 1.00 65.98 ? 322 ASN A CG 1 ATOM 2444 O OD1 . ASN A 1 321 ? 35.263 -9.913 -45.402 1.00 68.61 ? 322 ASN A OD1 1 ATOM 2445 N ND2 . ASN A 1 321 ? 36.100 -8.241 -44.167 1.00 64.82 ? 322 ASN A ND2 1 ATOM 2446 N N . VAL A 1 322 ? 38.511 -10.307 -47.061 1.00 69.76 ? 323 VAL A N 1 ATOM 2447 C CA . VAL A 1 322 ? 39.356 -9.573 -47.993 1.00 71.46 ? 323 VAL A CA 1 ATOM 2448 C C . VAL A 1 322 ? 38.525 -8.586 -48.830 1.00 81.45 ? 323 VAL A C 1 ATOM 2449 O O . VAL A 1 322 ? 38.013 -8.936 -49.897 1.00 78.37 ? 323 VAL A O 1 ATOM 2450 C CB . VAL A 1 322 ? 40.096 -10.524 -48.939 1.00 67.17 ? 323 VAL A CB 1 ATOM 2451 C CG1 . VAL A 1 322 ? 41.124 -9.768 -49.743 1.00 67.80 ? 323 VAL A CG1 1 ATOM 2452 C CG2 . VAL A 1 322 ? 40.751 -11.645 -48.167 1.00 66.58 ? 323 VAL A CG2 1 ATOM 2453 N N . PRO A 1 323 ? 38.415 -7.335 -48.365 1.00 89.50 ? 324 PRO A N 1 ATOM 2454 C CA . PRO A 1 323 ? 37.594 -6.371 -49.076 1.00 91.70 ? 324 PRO A CA 1 ATOM 2455 C C . PRO A 1 323 ? 38.310 -5.898 -50.327 1.00 92.72 ? 324 PRO A C 1 ATOM 2456 O O . PRO A 1 323 ? 39.499 -6.194 -50.501 1.00 87.46 ? 324 PRO A O 1 ATOM 2457 C CB . PRO A 1 323 ? 37.476 -5.234 -48.070 1.00 98.64 ? 324 PRO A CB 1 ATOM 2458 C CG . PRO A 1 323 ? 38.784 -5.268 -47.325 1.00 99.69 ? 324 PRO A CG 1 ATOM 2459 C CD . PRO A 1 323 ? 39.244 -6.698 -47.322 1.00 92.51 ? 324 PRO A CD 1 ATOM 2460 N N . GLU A 1 324 ? 37.609 -5.144 -51.169 1.00 96.28 ? 325 GLU A N 1 ATOM 2461 C CA . GLU A 1 324 ? 38.151 -4.772 -52.471 1.00 102.43 ? 325 GLU A CA 1 ATOM 2462 C C . GLU A 1 324 ? 39.368 -3.829 -52.376 1.00 104.23 ? 325 GLU A C 1 ATOM 2463 O O . GLU A 1 324 ? 39.317 -2.808 -51.694 1.00 97.56 ? 325 GLU A O 1 ATOM 2464 C CB . GLU A 1 324 ? 37.063 -4.159 -53.360 1.00 107.33 ? 325 GLU A CB 1 ATOM 2465 C CG . GLU A 1 324 ? 37.157 -4.635 -54.805 1.00 111.45 ? 325 GLU A CG 1 ATOM 2466 C CD . GLU A 1 324 ? 36.738 -3.588 -55.819 1.00 119.43 ? 325 GLU A CD 1 ATOM 2467 O OE1 . GLU A 1 324 ? 35.533 -3.271 -55.903 1.00 122.72 ? 325 GLU A OE1 1 ATOM 2468 O OE2 . GLU A 1 324 ? 37.621 -3.092 -56.550 1.00 121.69 ? 325 GLU A OE2 1 ATOM 2469 N N . LYS A 1 325 ? 40.449 -4.190 -53.075 1.00 110.62 ? 326 LYS A N 1 ATOM 2470 C CA . LYS A 1 325 ? 41.708 -3.429 -53.066 1.00 113.73 ? 326 LYS A CA 1 ATOM 2471 C C . LYS A 1 325 ? 41.732 -2.403 -54.204 1.00 115.90 ? 326 LYS A C 1 ATOM 2472 O O . LYS A 1 325 ? 41.403 -1.230 -54.011 1.00 114.86 ? 326 LYS A O 1 ATOM 2473 C CB . LYS A 1 325 ? 42.914 -4.381 -53.190 1.00 108.14 ? 326 LYS A CB 1 ATOM 2474 N N . GLY B 2 1 ? 47.302 -17.651 -46.456 1.00 79.66 ? 1 GLY B N 1 ATOM 2475 C CA . GLY B 2 1 ? 47.031 -19.078 -46.121 1.00 79.19 ? 1 GLY B CA 1 ATOM 2476 C C . GLY B 2 1 ? 47.939 -19.966 -46.939 1.00 78.79 ? 1 GLY B C 1 ATOM 2477 O O . GLY B 2 1 ? 48.433 -19.553 -47.997 1.00 75.87 ? 1 GLY B O 1 ATOM 2478 N N . ILE B 2 2 ? 48.146 -21.186 -46.458 1.00 70.98 ? 2 ILE B N 1 ATOM 2479 C CA . ILE B 2 2 ? 49.050 -22.115 -47.127 1.00 70.92 ? 2 ILE B CA 1 ATOM 2480 C C . ILE B 2 2 ? 48.724 -22.419 -48.606 1.00 66.53 ? 2 ILE B C 1 ATOM 2481 O O . ILE B 2 2 ? 49.627 -22.762 -49.361 1.00 66.19 ? 2 ILE B O 1 ATOM 2482 C CB . ILE B 2 2 ? 49.175 -23.435 -46.348 1.00 74.72 ? 2 ILE B CB 1 ATOM 2483 C CG1 . ILE B 2 2 ? 47.815 -24.149 -46.288 1.00 75.69 ? 2 ILE B CG1 1 ATOM 2484 C CG2 . ILE B 2 2 ? 49.797 -23.179 -44.975 1.00 73.89 ? 2 ILE B CG2 1 ATOM 2485 C CD1 . ILE B 2 2 ? 47.739 -25.245 -45.255 1.00 73.51 ? 2 ILE B CD1 1 ATOM 2486 N N . PHE B 2 3 ? 47.472 -22.279 -49.033 1.00 63.27 ? 3 PHE B N 1 ATOM 2487 C CA . PHE B 2 3 ? 47.127 -22.539 -50.447 1.00 64.41 ? 3 PHE B CA 1 ATOM 2488 C C . PHE B 2 3 ? 47.214 -21.355 -51.380 1.00 60.92 ? 3 PHE B C 1 ATOM 2489 O O . PHE B 2 3 ? 47.169 -21.531 -52.564 1.00 63.21 ? 3 PHE B O 1 ATOM 2490 C CB . PHE B 2 3 ? 45.747 -23.193 -50.559 1.00 65.06 ? 3 PHE B CB 1 ATOM 2491 C CG . PHE B 2 3 ? 45.737 -24.576 -50.022 1.00 67.51 ? 3 PHE B CG 1 ATOM 2492 C CD1 . PHE B 2 3 ? 46.158 -25.621 -50.804 1.00 69.80 ? 3 PHE B CD1 1 ATOM 2493 C CD2 . PHE B 2 3 ? 45.410 -24.810 -48.708 1.00 73.38 ? 3 PHE B CD2 1 ATOM 2494 C CE1 . PHE B 2 3 ? 46.205 -26.892 -50.302 1.00 73.24 ? 3 PHE B CE1 1 ATOM 2495 C CE2 . PHE B 2 3 ? 45.448 -26.080 -48.188 1.00 73.39 ? 3 PHE B CE2 1 ATOM 2496 C CZ . PHE B 2 3 ? 45.847 -27.123 -48.989 1.00 77.48 ? 3 PHE B CZ 1 ATOM 2497 N N . GLY B 2 4 ? 47.327 -20.149 -50.841 1.00 66.39 ? 4 GLY B N 1 ATOM 2498 C CA . GLY B 2 4 ? 47.490 -18.950 -51.649 1.00 61.31 ? 4 GLY B CA 1 ATOM 2499 C C . GLY B 2 4 ? 46.328 -18.672 -52.572 1.00 60.74 ? 4 GLY B C 1 ATOM 2500 O O . GLY B 2 4 ? 46.508 -18.034 -53.619 1.00 69.06 ? 4 GLY B O 1 ATOM 2501 N N . ALA B 2 5 ? 45.147 -19.154 -52.195 1.00 56.49 ? 5 ALA B N 1 ATOM 2502 C CA . ALA B 2 5 ? 43.926 -18.910 -52.941 1.00 56.60 ? 5 ALA B CA 1 ATOM 2503 C C . ALA B 2 5 ? 43.310 -17.621 -52.455 1.00 61.07 ? 5 ALA B C 1 ATOM 2504 O O . ALA B 2 5 ? 43.372 -16.597 -53.144 1.00 75.61 ? 5 ALA B O 1 ATOM 2505 C CB . ALA B 2 5 ? 42.958 -20.059 -52.784 1.00 55.04 ? 5 ALA B CB 1 ATOM 2506 N N . ILE B 2 6 ? 42.742 -17.665 -51.257 1.00 62.00 ? 6 ILE B N 1 ATOM 2507 C CA . ILE B 2 6 ? 42.165 -16.486 -50.595 1.00 62.37 ? 6 ILE B CA 1 ATOM 2508 C C . ILE B 2 6 ? 43.256 -15.488 -50.241 1.00 63.62 ? 6 ILE B C 1 ATOM 2509 O O . ILE B 2 6 ? 44.259 -15.850 -49.653 1.00 67.92 ? 6 ILE B O 1 ATOM 2510 C CB . ILE B 2 6 ? 41.438 -16.878 -49.293 1.00 59.25 ? 6 ILE B CB 1 ATOM 2511 C CG1 . ILE B 2 6 ? 40.234 -17.756 -49.623 1.00 58.07 ? 6 ILE B CG1 1 ATOM 2512 C CG2 . ILE B 2 6 ? 40.995 -15.644 -48.522 1.00 58.38 ? 6 ILE B CG2 1 ATOM 2513 C CD1 . ILE B 2 6 ? 39.578 -18.357 -48.411 1.00 58.45 ? 6 ILE B CD1 1 ATOM 2514 N N . ALA B 2 7 ? 43.044 -14.228 -50.597 1.00 68.82 ? 7 ALA B N 1 ATOM 2515 C CA . ALA B 2 7 ? 44.055 -13.206 -50.427 1.00 70.31 ? 7 ALA B CA 1 ATOM 2516 C C . ALA B 2 7 ? 45.324 -13.603 -51.172 1.00 69.44 ? 7 ALA B C 1 ATOM 2517 O O . ALA B 2 7 ? 46.430 -13.316 -50.729 1.00 65.22 ? 7 ALA B O 1 ATOM 2518 C CB . ALA B 2 7 ? 44.339 -12.993 -48.946 1.00 73.77 ? 7 ALA B CB 1 ATOM 2519 N N . GLY B 2 8 ? 45.154 -14.263 -52.314 1.00 71.83 ? 8 GLY B N 1 ATOM 2520 C CA . GLY B 2 8 ? 46.277 -14.633 -53.167 1.00 68.75 ? 8 GLY B CA 1 ATOM 2521 C C . GLY B 2 8 ? 45.875 -14.514 -54.608 1.00 69.16 ? 8 GLY B C 1 ATOM 2522 O O . GLY B 2 8 ? 45.752 -13.412 -55.139 1.00 70.73 ? 8 GLY B O 1 ATOM 2523 N N . PHE B 2 9 ? 45.630 -15.649 -55.246 1.00 70.04 ? 9 PHE B N 1 ATOM 2524 C CA . PHE B 2 9 ? 45.302 -15.602 -56.645 1.00 68.97 ? 9 PHE B CA 1 ATOM 2525 C C . PHE B 2 9 ? 43.876 -15.130 -56.849 1.00 70.22 ? 9 PHE B C 1 ATOM 2526 O O . PHE B 2 9 ? 43.533 -14.598 -57.918 1.00 71.91 ? 9 PHE B O 1 ATOM 2527 C CB . PHE B 2 9 ? 45.694 -16.878 -57.414 1.00 67.94 ? 9 PHE B CB 1 ATOM 2528 C CG . PHE B 2 9 ? 44.929 -18.125 -57.067 1.00 67.77 ? 9 PHE B CG 1 ATOM 2529 C CD1 . PHE B 2 9 ? 43.645 -18.337 -57.547 1.00 66.89 ? 9 PHE B CD1 1 ATOM 2530 C CD2 . PHE B 2 9 ? 45.544 -19.157 -56.366 1.00 68.46 ? 9 PHE B CD2 1 ATOM 2531 C CE1 . PHE B 2 9 ? 42.957 -19.519 -57.269 1.00 61.74 ? 9 PHE B CE1 1 ATOM 2532 C CE2 . PHE B 2 9 ? 44.860 -20.343 -56.099 1.00 65.27 ? 9 PHE B CE2 1 ATOM 2533 C CZ . PHE B 2 9 ? 43.565 -20.524 -56.565 1.00 59.10 ? 9 PHE B CZ 1 ATOM 2534 N N . ILE B 2 10 ? 43.057 -15.298 -55.820 1.00 68.95 ? 10 ILE B N 1 ATOM 2535 C CA . ILE B 2 10 ? 41.741 -14.674 -55.813 1.00 72.60 ? 10 ILE B CA 1 ATOM 2536 C C . ILE B 2 10 ? 41.989 -13.300 -55.218 1.00 76.38 ? 10 ILE B C 1 ATOM 2537 O O . ILE B 2 10 ? 42.302 -13.180 -54.028 1.00 77.95 ? 10 ILE B O 1 ATOM 2538 C CB . ILE B 2 10 ? 40.733 -15.419 -54.934 1.00 72.02 ? 10 ILE B CB 1 ATOM 2539 C CG1 . ILE B 2 10 ? 40.715 -16.921 -55.243 1.00 73.06 ? 10 ILE B CG1 1 ATOM 2540 C CG2 . ILE B 2 10 ? 39.350 -14.807 -55.102 1.00 74.68 ? 10 ILE B CG2 1 ATOM 2541 C CD1 . ILE B 2 10 ? 39.956 -17.302 -56.489 1.00 74.28 ? 10 ILE B CD1 1 ATOM 2542 N N . GLU B 2 11 ? 41.898 -12.259 -56.033 1.00 79.46 ? 11 GLU B N 1 ATOM 2543 C CA . GLU B 2 11 ? 42.397 -10.984 -55.573 1.00 81.16 ? 11 GLU B CA 1 ATOM 2544 C C . GLU B 2 11 ? 41.625 -10.577 -54.317 1.00 80.50 ? 11 GLU B C 1 ATOM 2545 O O . GLU B 2 11 ? 42.214 -10.097 -53.341 1.00 77.70 ? 11 GLU B O 1 ATOM 2546 C CB . GLU B 2 11 ? 42.331 -9.927 -56.669 1.00 91.35 ? 11 GLU B CB 1 ATOM 2547 C CG . GLU B 2 11 ? 43.436 -8.871 -56.561 1.00 104.70 ? 11 GLU B CG 1 ATOM 2548 C CD . GLU B 2 11 ? 44.835 -9.414 -56.885 1.00 111.07 ? 11 GLU B CD 1 ATOM 2549 O OE1 . GLU B 2 11 ? 45.199 -9.448 -58.081 1.00 114.07 ? 11 GLU B OE1 1 ATOM 2550 O OE2 . GLU B 2 11 ? 45.581 -9.797 -55.950 1.00 112.83 ? 11 GLU B OE2 1 ATOM 2551 N N . ASN B 2 12 ? 40.316 -10.824 -54.320 1.00 76.79 ? 12 ASN B N 1 ATOM 2552 C CA . ASN B 2 12 ? 39.481 -10.471 -53.185 1.00 70.79 ? 12 ASN B CA 1 ATOM 2553 C C . ASN B 2 12 ? 38.135 -11.193 -53.100 1.00 70.25 ? 12 ASN B C 1 ATOM 2554 O O . ASN B 2 12 ? 37.772 -11.967 -53.979 1.00 61.88 ? 12 ASN B O 1 ATOM 2555 C CB . ASN B 2 12 ? 39.274 -8.952 -53.134 1.00 73.77 ? 12 ASN B CB 1 ATOM 2556 C CG . ASN B 2 12 ? 38.651 -8.393 -54.393 1.00 74.22 ? 12 ASN B CG 1 ATOM 2557 O OD1 . ASN B 2 12 ? 37.549 -8.780 -54.782 1.00 71.90 ? 12 ASN B OD1 1 ATOM 2558 N ND2 . ASN B 2 12 ? 39.344 -7.446 -55.019 1.00 74.53 ? 12 ASN B ND2 1 ATOM 2559 N N . GLY B 2 13 ? 37.440 -10.969 -51.981 1.00 71.09 ? 13 GLY B N 1 ATOM 2560 C CA . GLY B 2 13 ? 36.120 -11.522 -51.745 1.00 69.80 ? 13 GLY B CA 1 ATOM 2561 C C . GLY B 2 13 ? 35.035 -10.622 -52.314 1.00 74.11 ? 13 GLY B C 1 ATOM 2562 O O . GLY B 2 13 ? 35.291 -9.477 -52.684 1.00 73.63 ? 13 GLY B O 1 ATOM 2563 N N . TRP B 2 14 ? 33.823 -11.161 -52.368 1.00 73.58 ? 14 TRP B N 1 ATOM 2564 C CA . TRP B 2 14 ? 32.682 -10.494 -52.926 1.00 76.99 ? 14 TRP B CA 1 ATOM 2565 C C . TRP B 2 14 ? 31.631 -10.215 -51.841 1.00 78.94 ? 14 TRP B C 1 ATOM 2566 O O . TRP B 2 14 ? 30.979 -11.146 -51.369 1.00 77.45 ? 14 TRP B O 1 ATOM 2567 C CB . TRP B 2 14 ? 32.045 -11.391 -53.996 1.00 82.92 ? 14 TRP B CB 1 ATOM 2568 C CG . TRP B 2 14 ? 32.909 -11.779 -55.212 1.00 82.47 ? 14 TRP B CG 1 ATOM 2569 C CD1 . TRP B 2 14 ? 33.881 -11.030 -55.826 1.00 80.04 ? 14 TRP B CD1 1 ATOM 2570 C CD2 . TRP B 2 14 ? 32.791 -12.980 -55.978 1.00 78.61 ? 14 TRP B CD2 1 ATOM 2571 N NE1 . TRP B 2 14 ? 34.392 -11.712 -56.905 1.00 76.91 ? 14 TRP B NE1 1 ATOM 2572 C CE2 . TRP B 2 14 ? 33.740 -12.910 -57.020 1.00 78.22 ? 14 TRP B CE2 1 ATOM 2573 C CE3 . TRP B 2 14 ? 31.985 -14.118 -55.873 1.00 77.87 ? 14 TRP B CE3 1 ATOM 2574 C CZ2 . TRP B 2 14 ? 33.913 -13.941 -57.942 1.00 79.11 ? 14 TRP B CZ2 1 ATOM 2575 C CZ3 . TRP B 2 14 ? 32.150 -15.144 -56.798 1.00 79.67 ? 14 TRP B CZ3 1 ATOM 2576 C CH2 . TRP B 2 14 ? 33.106 -15.049 -57.816 1.00 80.75 ? 14 TRP B CH2 1 ATOM 2577 N N . GLU B 2 15 ? 31.446 -8.937 -51.483 1.00 80.48 ? 15 GLU B N 1 ATOM 2578 C CA . GLU B 2 15 ? 30.364 -8.498 -50.582 1.00 79.68 ? 15 GLU B CA 1 ATOM 2579 C C . GLU B 2 15 ? 28.985 -8.795 -51.126 1.00 80.90 ? 15 GLU B C 1 ATOM 2580 O O . GLU B 2 15 ? 28.036 -8.930 -50.368 1.00 81.12 ? 15 GLU B O 1 ATOM 2581 C CB . GLU B 2 15 ? 30.473 -7.003 -50.284 1.00 83.73 ? 15 GLU B CB 1 ATOM 2582 C CG . GLU B 2 15 ? 31.611 -6.686 -49.326 1.00 88.52 ? 15 GLU B CG 1 ATOM 2583 C CD . GLU B 2 15 ? 31.671 -5.228 -48.883 1.00 96.82 ? 15 GLU B CD 1 ATOM 2584 O OE1 . GLU B 2 15 ? 30.609 -4.606 -48.603 1.00 97.43 ? 15 GLU B OE1 1 ATOM 2585 O OE2 . GLU B 2 15 ? 32.806 -4.707 -48.801 1.00 97.81 ? 15 GLU B OE2 1 ATOM 2586 N N . GLY B 2 16 ? 28.885 -8.896 -52.448 1.00 86.68 ? 16 GLY B N 1 ATOM 2587 C CA . GLY B 2 16 ? 27.621 -9.152 -53.138 1.00 89.06 ? 16 GLY B CA 1 ATOM 2588 C C . GLY B 2 16 ? 27.169 -10.600 -53.124 1.00 88.00 ? 16 GLY B C 1 ATOM 2589 O O . GLY B 2 16 ? 26.062 -10.906 -53.559 1.00 88.50 ? 16 GLY B O 1 ATOM 2590 N N . MET B 2 17 ? 28.009 -11.509 -52.643 1.00 86.22 ? 17 MET B N 1 ATOM 2591 C CA . MET B 2 17 ? 27.556 -12.871 -52.481 1.00 84.94 ? 17 MET B CA 1 ATOM 2592 C C . MET B 2 17 ? 26.995 -13.120 -51.090 1.00 84.81 ? 17 MET B C 1 ATOM 2593 O O . MET B 2 17 ? 27.750 -13.388 -50.170 1.00 80.59 ? 17 MET B O 1 ATOM 2594 C CB . MET B 2 17 ? 28.668 -13.864 -52.734 1.00 83.40 ? 17 MET B CB 1 ATOM 2595 C CG . MET B 2 17 ? 28.095 -15.265 -52.682 1.00 84.58 ? 17 MET B CG 1 ATOM 2596 S SD . MET B 2 17 ? 28.883 -16.348 -53.836 1.00 84.40 ? 17 MET B SD 1 ATOM 2597 C CE . MET B 2 17 ? 30.422 -16.516 -52.951 1.00 88.67 ? 17 MET B CE 1 ATOM 2598 N N . VAL B 2 18 ? 25.669 -13.080 -50.971 1.00 89.25 ? 18 VAL B N 1 ATOM 2599 C CA . VAL B 2 18 ? 24.968 -13.324 -49.704 1.00 90.31 ? 18 VAL B CA 1 ATOM 2600 C C . VAL B 2 18 ? 24.455 -14.768 -49.642 1.00 85.56 ? 18 VAL B C 1 ATOM 2601 O O . VAL B 2 18 ? 23.943 -15.230 -48.645 1.00 85.33 ? 18 VAL B O 1 ATOM 2602 C CB . VAL B 2 18 ? 23.741 -12.393 -49.562 1.00 97.99 ? 18 VAL B CB 1 ATOM 2603 C CG1 . VAL B 2 18 ? 23.420 -12.169 -48.079 1.00 103.38 ? 18 VAL B CG1 1 ATOM 2604 C CG2 . VAL B 2 18 ? 23.960 -11.070 -50.294 1.00 96.98 ? 18 VAL B CG2 1 ATOM 2605 N N . ASP B 2 19 ? 24.616 -15.458 -50.748 1.00 88.27 ? 19 ASP B N 1 ATOM 2606 C CA . ASP B 2 19 ? 23.924 -16.682 -51.074 1.00 88.21 ? 19 ASP B CA 1 ATOM 2607 C C . ASP B 2 19 ? 24.665 -17.852 -50.420 1.00 81.94 ? 19 ASP B C 1 ATOM 2608 O O . ASP B 2 19 ? 24.085 -18.902 -50.168 1.00 81.49 ? 19 ASP B O 1 ATOM 2609 C CB . ASP B 2 19 ? 23.993 -16.784 -52.616 1.00 94.83 ? 19 ASP B CB 1 ATOM 2610 C CG . ASP B 2 19 ? 22.819 -17.484 -53.234 1.00 101.68 ? 19 ASP B CG 1 ATOM 2611 O OD1 . ASP B 2 19 ? 21.853 -17.754 -52.505 1.00 107.12 ? 19 ASP B OD1 1 ATOM 2612 O OD2 . ASP B 2 19 ? 22.870 -17.747 -54.468 1.00 100.69 ? 19 ASP B OD2 1 ATOM 2613 N N . GLY B 2 20 ? 25.958 -17.646 -50.155 1.00 74.38 ? 20 GLY B N 1 ATOM 2614 C CA . GLY B 2 20 ? 26.885 -18.702 -49.761 1.00 69.61 ? 20 GLY B CA 1 ATOM 2615 C C . GLY B 2 20 ? 28.265 -18.137 -49.416 1.00 69.44 ? 20 GLY B C 1 ATOM 2616 O O . GLY B 2 20 ? 28.476 -16.919 -49.416 1.00 68.17 ? 20 GLY B O 1 ATOM 2617 N N . TRP B 2 21 ? 29.206 -19.024 -49.100 1.00 66.86 ? 21 TRP B N 1 ATOM 2618 C CA . TRP B 2 21 ? 30.581 -18.623 -48.780 1.00 65.54 ? 21 TRP B CA 1 ATOM 2619 C C . TRP B 2 21 ? 31.521 -18.681 -49.986 1.00 65.35 ? 21 TRP B C 1 ATOM 2620 O O . TRP B 2 21 ? 32.536 -17.992 -50.036 1.00 62.43 ? 21 TRP B O 1 ATOM 2621 C CB . TRP B 2 21 ? 31.145 -19.552 -47.713 1.00 67.60 ? 21 TRP B CB 1 ATOM 2622 C CG . TRP B 2 21 ? 30.638 -19.313 -46.334 1.00 67.59 ? 21 TRP B CG 1 ATOM 2623 C CD1 . TRP B 2 21 ? 29.423 -18.823 -45.983 1.00 70.49 ? 21 TRP B CD1 1 ATOM 2624 C CD2 . TRP B 2 21 ? 31.332 -19.577 -45.119 1.00 62.80 ? 21 TRP B CD2 1 ATOM 2625 N NE1 . TRP B 2 21 ? 29.323 -18.755 -44.623 1.00 69.85 ? 21 TRP B NE1 1 ATOM 2626 C CE2 . TRP B 2 21 ? 30.481 -19.215 -44.068 1.00 64.70 ? 21 TRP B CE2 1 ATOM 2627 C CE3 . TRP B 2 21 ? 32.590 -20.080 -44.819 1.00 64.47 ? 21 TRP B CE3 1 ATOM 2628 C CZ2 . TRP B 2 21 ? 30.838 -19.342 -42.744 1.00 61.90 ? 21 TRP B CZ2 1 ATOM 2629 C CZ3 . TRP B 2 21 ? 32.943 -20.213 -43.500 1.00 65.47 ? 21 TRP B CZ3 1 ATOM 2630 C CH2 . TRP B 2 21 ? 32.068 -19.842 -42.480 1.00 62.57 ? 21 TRP B CH2 1 ATOM 2631 N N . TYR B 2 22 ? 31.208 -19.554 -50.931 1.00 65.76 ? 22 TYR B N 1 ATOM 2632 C CA . TYR B 2 22 ? 32.037 -19.761 -52.100 1.00 66.27 ? 22 TYR B CA 1 ATOM 2633 C C . TYR B 2 22 ? 31.122 -19.858 -53.285 1.00 69.81 ? 22 TYR B C 1 ATOM 2634 O O . TYR B 2 22 ? 29.957 -20.249 -53.137 1.00 72.67 ? 22 TYR B O 1 ATOM 2635 C CB . TYR B 2 22 ? 32.798 -21.078 -51.993 1.00 63.48 ? 22 TYR B CB 1 ATOM 2636 C CG . TYR B 2 22 ? 33.691 -21.206 -50.796 1.00 63.69 ? 22 TYR B CG 1 ATOM 2637 C CD1 . TYR B 2 22 ? 34.965 -20.670 -50.817 1.00 65.62 ? 22 TYR B CD1 1 ATOM 2638 C CD2 . TYR B 2 22 ? 33.288 -21.897 -49.649 1.00 63.01 ? 22 TYR B CD2 1 ATOM 2639 C CE1 . TYR B 2 22 ? 35.817 -20.798 -49.734 1.00 64.79 ? 22 TYR B CE1 1 ATOM 2640 C CE2 . TYR B 2 22 ? 34.146 -22.034 -48.558 1.00 60.55 ? 22 TYR B CE2 1 ATOM 2641 C CZ . TYR B 2 22 ? 35.411 -21.476 -48.610 1.00 60.25 ? 22 TYR B CZ 1 ATOM 2642 O OH . TYR B 2 22 ? 36.310 -21.560 -47.574 1.00 54.74 ? 22 TYR B OH 1 ATOM 2643 N N . GLY B 2 23 ? 31.643 -19.540 -54.467 1.00 69.83 ? 23 GLY B N 1 ATOM 2644 C CA . GLY B 2 23 ? 30.844 -19.674 -55.672 1.00 70.76 ? 23 GLY B CA 1 ATOM 2645 C C . GLY B 2 23 ? 31.477 -19.123 -56.922 1.00 70.77 ? 23 GLY B C 1 ATOM 2646 O O . GLY B 2 23 ? 32.704 -18.965 -56.996 1.00 67.04 ? 23 GLY B O 1 ATOM 2647 N N . PHE B 2 24 ? 30.608 -18.810 -57.886 1.00 71.63 ? 24 PHE B N 1 ATOM 2648 C CA . PHE B 2 24 ? 31.002 -18.482 -59.250 1.00 72.47 ? 24 PHE B CA 1 ATOM 2649 C C . PHE B 2 24 ? 30.347 -17.201 -59.726 1.00 73.33 ? 24 PHE B C 1 ATOM 2650 O O . PHE B 2 24 ? 29.200 -16.928 -59.395 1.00 71.80 ? 24 PHE B O 1 ATOM 2651 C CB . PHE B 2 24 ? 30.548 -19.566 -60.237 1.00 74.57 ? 24 PHE B CB 1 ATOM 2652 C CG . PHE B 2 24 ? 30.861 -20.985 -59.826 1.00 74.01 ? 24 PHE B CG 1 ATOM 2653 C CD1 . PHE B 2 24 ? 29.935 -21.734 -59.096 1.00 74.72 ? 24 PHE B CD1 1 ATOM 2654 C CD2 . PHE B 2 24 ? 32.039 -21.592 -60.225 1.00 71.13 ? 24 PHE B CD2 1 ATOM 2655 C CE1 . PHE B 2 24 ? 30.198 -23.044 -58.743 1.00 72.84 ? 24 PHE B CE1 1 ATOM 2656 C CE2 . PHE B 2 24 ? 32.307 -22.905 -59.879 1.00 71.67 ? 24 PHE B CE2 1 ATOM 2657 C CZ . PHE B 2 24 ? 31.389 -23.629 -59.131 1.00 72.76 ? 24 PHE B CZ 1 ATOM 2658 N N . ARG B 2 25 ? 31.083 -16.435 -60.525 1.00 76.73 ? 25 ARG B N 1 ATOM 2659 C CA . ARG B 2 25 ? 30.506 -15.378 -61.360 1.00 78.42 ? 25 ARG B CA 1 ATOM 2660 C C . ARG B 2 25 ? 30.939 -15.654 -62.778 1.00 80.84 ? 25 ARG B C 1 ATOM 2661 O O . ARG B 2 25 ? 32.014 -16.218 -63.005 1.00 77.57 ? 25 ARG B O 1 ATOM 2662 C CB . ARG B 2 25 ? 30.969 -13.990 -60.932 1.00 77.29 ? 25 ARG B CB 1 ATOM 2663 C CG . ARG B 2 25 ? 30.183 -13.436 -59.756 1.00 80.00 ? 25 ARG B CG 1 ATOM 2664 C CD . ARG B 2 25 ? 30.649 -12.040 -59.412 1.00 79.12 ? 25 ARG B CD 1 ATOM 2665 N NE . ARG B 2 25 ? 30.067 -11.562 -58.167 1.00 77.36 ? 25 ARG B NE 1 ATOM 2666 C CZ . ARG B 2 25 ? 30.522 -10.501 -57.510 1.00 78.86 ? 25 ARG B CZ 1 ATOM 2667 N NH1 . ARG B 2 25 ? 31.572 -9.840 -57.959 1.00 81.04 ? 25 ARG B NH1 1 ATOM 2668 N NH2 . ARG B 2 25 ? 29.946 -10.103 -56.383 1.00 80.12 ? 25 ARG B NH2 1 ATOM 2669 N N . TYR B 2 26 ? 30.106 -15.271 -63.736 1.00 82.53 ? 26 TYR B N 1 ATOM 2670 C CA . TYR B 2 26 ? 30.374 -15.635 -65.109 1.00 84.56 ? 26 TYR B CA 1 ATOM 2671 C C . TYR B 2 26 ? 29.789 -14.661 -66.094 1.00 87.67 ? 26 TYR B C 1 ATOM 2672 O O . TYR B 2 26 ? 28.817 -13.971 -65.798 1.00 89.38 ? 26 TYR B O 1 ATOM 2673 C CB . TYR B 2 26 ? 29.862 -17.047 -65.397 1.00 85.34 ? 26 TYR B CB 1 ATOM 2674 C CG . TYR B 2 26 ? 28.430 -17.310 -65.001 1.00 88.23 ? 26 TYR B CG 1 ATOM 2675 C CD1 . TYR B 2 26 ? 28.106 -17.757 -63.713 1.00 87.83 ? 26 TYR B CD1 1 ATOM 2676 C CD2 . TYR B 2 26 ? 27.396 -17.144 -65.919 1.00 92.64 ? 26 TYR B CD2 1 ATOM 2677 C CE1 . TYR B 2 26 ? 26.788 -18.013 -63.348 1.00 91.31 ? 26 TYR B CE1 1 ATOM 2678 C CE2 . TYR B 2 26 ? 26.076 -17.399 -65.569 1.00 97.47 ? 26 TYR B CE2 1 ATOM 2679 C CZ . TYR B 2 26 ? 25.772 -17.834 -64.284 1.00 97.78 ? 26 TYR B CZ 1 ATOM 2680 O OH . TYR B 2 26 ? 24.459 -18.089 -63.950 1.00 97.83 ? 26 TYR B OH 1 ATOM 2681 N N . GLN B 2 27 ? 30.415 -14.615 -67.263 1.00 86.03 ? 27 GLN B N 1 ATOM 2682 C CA . GLN B 2 27 ? 29.963 -13.795 -68.370 1.00 93.09 ? 27 GLN B CA 1 ATOM 2683 C C . GLN B 2 27 ? 29.896 -14.675 -69.629 1.00 89.83 ? 27 GLN B C 1 ATOM 2684 O O . GLN B 2 27 ? 30.900 -15.222 -70.064 1.00 84.06 ? 27 GLN B O 1 ATOM 2685 C CB . GLN B 2 27 ? 30.918 -12.620 -68.562 1.00 98.70 ? 27 GLN B CB 1 ATOM 2686 C CG . GLN B 2 27 ? 30.545 -11.696 -69.716 1.00 107.45 ? 27 GLN B CG 1 ATOM 2687 C CD . GLN B 2 27 ? 31.343 -10.403 -69.721 1.00 110.87 ? 27 GLN B CD 1 ATOM 2688 O OE1 . GLN B 2 27 ? 31.956 -10.023 -68.718 1.00 116.04 ? 27 GLN B OE1 1 ATOM 2689 N NE2 . GLN B 2 27 ? 31.334 -9.716 -70.853 1.00 113.69 ? 27 GLN B NE2 1 ATOM 2690 N N . ASN B 2 28 ? 28.704 -14.837 -70.187 1.00 88.98 ? 28 ASN B N 1 ATOM 2691 C CA . ASN B 2 28 ? 28.511 -15.744 -71.304 1.00 90.12 ? 28 ASN B CA 1 ATOM 2692 C C . ASN B 2 28 ? 27.611 -15.113 -72.372 1.00 92.62 ? 28 ASN B C 1 ATOM 2693 O O . ASN B 2 28 ? 27.402 -13.891 -72.381 1.00 88.69 ? 28 ASN B O 1 ATOM 2694 C CB . ASN B 2 28 ? 27.975 -17.088 -70.787 1.00 88.56 ? 28 ASN B CB 1 ATOM 2695 C CG . ASN B 2 28 ? 26.569 -16.995 -70.213 1.00 92.70 ? 28 ASN B CG 1 ATOM 2696 O OD1 . ASN B 2 28 ? 26.031 -15.906 -70.006 1.00 99.83 ? 28 ASN B OD1 1 ATOM 2697 N ND2 . ASN B 2 28 ? 25.962 -18.147 -69.955 1.00 91.76 ? 28 ASN B ND2 1 ATOM 2698 N N . SER B 2 29 ? 27.088 -15.939 -73.271 1.00 94.90 ? 29 SER B N 1 ATOM 2699 C CA . SER B 2 29 ? 26.192 -15.454 -74.315 1.00 99.78 ? 29 SER B CA 1 ATOM 2700 C C . SER B 2 29 ? 24.883 -14.847 -73.763 1.00 100.98 ? 29 SER B C 1 ATOM 2701 O O . SER B 2 29 ? 24.254 -14.029 -74.418 1.00 100.54 ? 29 SER B O 1 ATOM 2702 C CB . SER B 2 29 ? 25.888 -16.581 -75.308 1.00 101.40 ? 29 SER B CB 1 ATOM 2703 O OG . SER B 2 29 ? 25.206 -17.646 -74.666 1.00 105.08 ? 29 SER B OG 1 ATOM 2704 N N . GLU B 2 30 ? 24.470 -15.225 -72.560 1.00 103.51 ? 30 GLU B N 1 ATOM 2705 C CA . GLU B 2 30 ? 23.242 -14.658 -71.984 1.00 104.56 ? 30 GLU B CA 1 ATOM 2706 C C . GLU B 2 30 ? 23.484 -13.525 -70.974 1.00 102.20 ? 30 GLU B C 1 ATOM 2707 O O . GLU B 2 30 ? 22.570 -13.162 -70.243 1.00 98.92 ? 30 GLU B O 1 ATOM 2708 C CB . GLU B 2 30 ? 22.404 -15.763 -71.348 1.00 102.42 ? 30 GLU B CB 1 ATOM 2709 C CG . GLU B 2 30 ? 22.359 -17.020 -72.195 1.00 101.73 ? 30 GLU B CG 1 ATOM 2710 C CD . GLU B 2 30 ? 21.182 -17.891 -71.853 1.00 102.51 ? 30 GLU B CD 1 ATOM 2711 O OE1 . GLU B 2 30 ? 20.069 -17.534 -72.269 1.00 105.39 ? 30 GLU B OE1 1 ATOM 2712 O OE2 . GLU B 2 30 ? 21.365 -18.917 -71.167 1.00 101.26 ? 30 GLU B OE2 1 ATOM 2713 N N . GLY B 2 31 ? 24.694 -12.959 -70.954 1.00 101.55 ? 31 GLY B N 1 ATOM 2714 C CA . GLY B 2 31 ? 25.017 -11.823 -70.086 1.00 101.15 ? 31 GLY B CA 1 ATOM 2715 C C . GLY B 2 31 ? 25.848 -12.286 -68.906 1.00 102.00 ? 31 GLY B C 1 ATOM 2716 O O . GLY B 2 31 ? 26.729 -13.128 -69.063 1.00 103.60 ? 31 GLY B O 1 ATOM 2717 N N . THR B 2 32 ? 25.568 -11.746 -67.723 1.00 98.85 ? 32 THR B N 1 ATOM 2718 C CA . THR B 2 32 ? 26.321 -12.114 -66.528 1.00 95.63 ? 32 THR B CA 1 ATOM 2719 C C . THR B 2 32 ? 25.429 -12.670 -65.420 1.00 91.46 ? 32 THR B C 1 ATOM 2720 O O . THR B 2 32 ? 24.223 -12.413 -65.360 1.00 86.98 ? 32 THR B O 1 ATOM 2721 C CB . THR B 2 32 ? 27.174 -10.943 -65.963 1.00 95.66 ? 32 THR B CB 1 ATOM 2722 O OG1 . THR B 2 32 ? 26.326 -9.984 -65.313 1.00 97.65 ? 32 THR B OG1 1 ATOM 2723 C CG2 . THR B 2 32 ? 27.991 -10.270 -67.074 1.00 92.68 ? 32 THR B CG2 1 ATOM 2724 N N . GLY B 2 33 ? 26.058 -13.438 -64.540 1.00 87.36 ? 33 GLY B N 1 ATOM 2725 C CA . GLY B 2 33 ? 25.347 -14.119 -63.477 1.00 86.20 ? 33 GLY B CA 1 ATOM 2726 C C . GLY B 2 33 ? 26.244 -14.515 -62.327 1.00 80.42 ? 33 GLY B C 1 ATOM 2727 O O . GLY B 2 33 ? 27.472 -14.334 -62.376 1.00 72.60 ? 33 GLY B O 1 ATOM 2728 N N . GLN B 2 34 ? 25.603 -15.060 -61.296 1.00 77.57 ? 34 GLN B N 1 ATOM 2729 C CA . GLN B 2 34 ? 26.280 -15.430 -60.074 1.00 76.05 ? 34 GLN B CA 1 ATOM 2730 C C . GLN B 2 34 ? 25.556 -16.588 -59.423 1.00 75.92 ? 34 GLN B C 1 ATOM 2731 O O . GLN B 2 34 ? 24.327 -16.627 -59.396 1.00 78.76 ? 34 GLN B O 1 ATOM 2732 C CB . GLN B 2 34 ? 26.329 -14.248 -59.114 1.00 77.09 ? 34 GLN B CB 1 ATOM 2733 C CG . GLN B 2 34 ? 27.145 -14.530 -57.863 1.00 81.04 ? 34 GLN B CG 1 ATOM 2734 C CD . GLN B 2 34 ? 26.876 -13.543 -56.752 1.00 82.04 ? 34 GLN B CD 1 ATOM 2735 O OE1 . GLN B 2 34 ? 26.141 -13.841 -55.814 1.00 86.05 ? 34 GLN B OE1 1 ATOM 2736 N NE2 . GLN B 2 34 ? 27.454 -12.358 -56.858 1.00 81.19 ? 34 GLN B NE2 1 ATOM 2737 N N . ALA B 2 35 ? 26.316 -17.537 -58.891 1.00 73.01 ? 35 ALA B N 1 ATOM 2738 C CA . ALA B 2 35 ? 25.712 -18.630 -58.145 1.00 74.15 ? 35 ALA B CA 1 ATOM 2739 C C . ALA B 2 35 ? 26.593 -19.078 -56.982 1.00 72.13 ? 35 ALA B C 1 ATOM 2740 O O . ALA B 2 35 ? 27.818 -19.106 -57.078 1.00 71.49 ? 35 ALA B O 1 ATOM 2741 C CB . ALA B 2 35 ? 25.397 -19.793 -59.072 1.00 73.64 ? 35 ALA B CB 1 ATOM 2742 N N . ALA B 2 36 ? 25.964 -19.413 -55.867 1.00 72.93 ? 36 ALA B N 1 ATOM 2743 C CA . ALA B 2 36 ? 26.714 -19.962 -54.758 1.00 71.96 ? 36 ALA B CA 1 ATOM 2744 C C . ALA B 2 36 ? 26.898 -21.468 -54.952 1.00 72.19 ? 36 ALA B C 1 ATOM 2745 O O . ALA B 2 36 ? 26.013 -22.132 -55.513 1.00 68.97 ? 36 ALA B O 1 ATOM 2746 C CB . ALA B 2 36 ? 26.007 -19.659 -53.456 1.00 75.09 ? 36 ALA B CB 1 ATOM 2747 N N . ASP B 2 37 ? 28.064 -21.978 -54.529 1.00 72.43 ? 37 ASP B N 1 ATOM 2748 C CA . ASP B 2 37 ? 28.320 -23.429 -54.398 1.00 75.13 ? 37 ASP B CA 1 ATOM 2749 C C . ASP B 2 37 ? 28.015 -23.890 -52.984 1.00 77.94 ? 37 ASP B C 1 ATOM 2750 O O . ASP B 2 37 ? 28.718 -23.507 -52.045 1.00 75.88 ? 37 ASP B O 1 ATOM 2751 C CB . ASP B 2 37 ? 29.778 -23.778 -54.678 1.00 73.12 ? 37 ASP B CB 1 ATOM 2752 C CG . ASP B 2 37 ? 30.044 -25.279 -54.613 1.00 74.24 ? 37 ASP B CG 1 ATOM 2753 O OD1 . ASP B 2 37 ? 29.817 -25.962 -55.626 1.00 72.33 ? 37 ASP B OD1 1 ATOM 2754 O OD2 . ASP B 2 37 ? 30.503 -25.782 -53.561 1.00 82.42 ? 37 ASP B OD2 1 ATOM 2755 N N . LEU B 2 38 ? 27.009 -24.751 -52.848 1.00 81.10 ? 38 LEU B N 1 ATOM 2756 C CA . LEU B 2 38 ? 26.516 -25.157 -51.539 1.00 85.71 ? 38 LEU B CA 1 ATOM 2757 C C . LEU B 2 38 ? 27.332 -26.261 -50.874 1.00 80.19 ? 38 LEU B C 1 ATOM 2758 O O . LEU B 2 38 ? 27.419 -26.282 -49.653 1.00 77.65 ? 38 LEU B O 1 ATOM 2759 C CB . LEU B 2 38 ? 25.034 -25.545 -51.619 1.00 95.22 ? 38 LEU B CB 1 ATOM 2760 C CG . LEU B 2 38 ? 24.123 -24.335 -51.937 1.00 105.73 ? 38 LEU B CG 1 ATOM 2761 C CD1 . LEU B 2 38 ? 22.777 -24.755 -52.551 1.00 106.92 ? 38 LEU B CD1 1 ATOM 2762 C CD2 . LEU B 2 38 ? 23.935 -23.436 -50.708 1.00 105.55 ? 38 LEU B CD2 1 ATOM 2763 N N . LYS B 2 39 ? 27.919 -27.160 -51.660 1.00 77.04 ? 39 LYS B N 1 ATOM 2764 C CA . LYS B 2 39 ? 28.695 -28.283 -51.132 1.00 77.64 ? 39 LYS B CA 1 ATOM 2765 C C . LYS B 2 39 ? 29.886 -27.783 -50.337 1.00 71.47 ? 39 LYS B C 1 ATOM 2766 O O . LYS B 2 39 ? 30.081 -28.147 -49.162 1.00 66.34 ? 39 LYS B O 1 ATOM 2767 C CB . LYS B 2 39 ? 29.173 -29.182 -52.270 1.00 88.91 ? 39 LYS B CB 1 ATOM 2768 C CG . LYS B 2 39 ? 29.938 -30.434 -51.843 1.00 102.56 ? 39 LYS B CG 1 ATOM 2769 C CD . LYS B 2 39 ? 30.830 -30.978 -52.966 1.00 116.37 ? 39 LYS B CD 1 ATOM 2770 C CE . LYS B 2 39 ? 30.041 -31.634 -54.103 1.00 123.23 ? 39 LYS B CE 1 ATOM 2771 N NZ . LYS B 2 39 ? 29.743 -33.068 -53.836 1.00 128.34 ? 39 LYS B NZ 1 ATOM 2772 N N . SER B 2 40 ? 30.659 -26.923 -50.973 1.00 67.07 ? 40 SER B N 1 ATOM 2773 C CA . SER B 2 40 ? 31.885 -26.427 -50.374 1.00 68.38 ? 40 SER B CA 1 ATOM 2774 C C . SER B 2 40 ? 31.620 -25.448 -49.223 1.00 67.71 ? 40 SER B C 1 ATOM 2775 O O . SER B 2 40 ? 32.357 -25.421 -48.244 1.00 67.22 ? 40 SER B O 1 ATOM 2776 C CB . SER B 2 40 ? 32.752 -25.762 -51.438 1.00 69.13 ? 40 SER B CB 1 ATOM 2777 O OG . SER B 2 40 ? 32.222 -24.496 -51.750 1.00 70.86 ? 40 SER B OG 1 ATOM 2778 N N . THR B 2 41 ? 30.582 -24.638 -49.356 1.00 68.13 ? 41 THR B N 1 ATOM 2779 C CA . THR B 2 41 ? 30.108 -23.812 -48.261 1.00 68.00 ? 41 THR B CA 1 ATOM 2780 C C . THR B 2 41 ? 29.782 -24.679 -47.059 1.00 68.80 ? 41 THR B C 1 ATOM 2781 O O . THR B 2 41 ? 30.158 -24.367 -45.940 1.00 74.48 ? 41 THR B O 1 ATOM 2782 C CB . THR B 2 41 ? 28.839 -23.050 -48.678 1.00 72.26 ? 41 THR B CB 1 ATOM 2783 O OG1 . THR B 2 41 ? 29.169 -22.142 -49.734 1.00 73.94 ? 41 THR B OG1 1 ATOM 2784 C CG2 . THR B 2 41 ? 28.226 -22.265 -47.506 1.00 71.57 ? 41 THR B CG2 1 ATOM 2785 N N . GLN B 2 42 ? 29.077 -25.774 -47.289 1.00 72.38 ? 42 GLN B N 1 ATOM 2786 C CA . GLN B 2 42 ? 28.662 -26.648 -46.203 1.00 72.68 ? 42 GLN B CA 1 ATOM 2787 C C . GLN B 2 42 ? 29.865 -27.409 -45.630 1.00 71.89 ? 42 GLN B C 1 ATOM 2788 O O . GLN B 2 42 ? 29.878 -27.747 -44.449 1.00 68.94 ? 42 GLN B O 1 ATOM 2789 C CB . GLN B 2 42 ? 27.605 -27.634 -46.693 1.00 77.21 ? 42 GLN B CB 1 ATOM 2790 C CG . GLN B 2 42 ? 26.860 -28.354 -45.589 1.00 81.58 ? 42 GLN B CG 1 ATOM 2791 C CD . GLN B 2 42 ? 26.181 -27.381 -44.654 1.00 86.24 ? 42 GLN B CD 1 ATOM 2792 O OE1 . GLN B 2 42 ? 26.400 -27.410 -43.445 1.00 91.77 ? 42 GLN B OE1 1 ATOM 2793 N NE2 . GLN B 2 42 ? 25.385 -26.486 -45.213 1.00 84.14 ? 42 GLN B NE2 1 ATOM 2794 N N . ALA B 2 43 ? 30.871 -27.689 -46.459 1.00 67.61 ? 43 ALA B N 1 ATOM 2795 C CA . ALA B 2 43 ? 32.042 -28.398 -45.957 1.00 65.47 ? 43 ALA B CA 1 ATOM 2796 C C . ALA B 2 43 ? 32.775 -27.508 -44.967 1.00 64.40 ? 43 ALA B C 1 ATOM 2797 O O . ALA B 2 43 ? 33.227 -27.978 -43.939 1.00 68.66 ? 43 ALA B O 1 ATOM 2798 C CB . ALA B 2 43 ? 32.964 -28.821 -47.082 1.00 60.76 ? 43 ALA B CB 1 ATOM 2799 N N . ALA B 2 44 ? 32.875 -26.222 -45.274 1.00 60.01 ? 44 ALA B N 1 ATOM 2800 C CA . ALA B 2 44 ? 33.496 -25.276 -44.359 1.00 60.52 ? 44 ALA B CA 1 ATOM 2801 C C . ALA B 2 44 ? 32.726 -25.197 -43.062 1.00 62.51 ? 44 ALA B C 1 ATOM 2802 O O . ALA B 2 44 ? 33.273 -25.325 -41.982 1.00 57.54 ? 44 ALA B O 1 ATOM 2803 C CB . ALA B 2 44 ? 33.544 -23.890 -44.978 1.00 59.88 ? 44 ALA B CB 1 ATOM 2804 N N . ILE B 2 45 ? 31.435 -24.960 -43.184 1.00 66.35 ? 45 ILE B N 1 ATOM 2805 C CA . ILE B 2 45 ? 30.654 -24.622 -42.030 1.00 64.90 ? 45 ILE B CA 1 ATOM 2806 C C . ILE B 2 45 ? 30.629 -25.784 -41.065 1.00 63.29 ? 45 ILE B C 1 ATOM 2807 O O . ILE B 2 45 ? 30.807 -25.569 -39.867 1.00 62.37 ? 45 ILE B O 1 ATOM 2808 C CB . ILE B 2 45 ? 29.262 -24.149 -42.451 1.00 70.02 ? 45 ILE B CB 1 ATOM 2809 C CG1 . ILE B 2 45 ? 29.387 -22.781 -43.127 1.00 70.82 ? 45 ILE B CG1 1 ATOM 2810 C CG2 . ILE B 2 45 ? 28.328 -24.052 -41.262 1.00 70.62 ? 45 ILE B CG2 1 ATOM 2811 C CD1 . ILE B 2 45 ? 28.130 -22.357 -43.859 1.00 73.16 ? 45 ILE B CD1 1 ATOM 2812 N N . ASP B 2 46 ? 30.449 -27.003 -41.579 1.00 63.85 ? 46 ASP B N 1 ATOM 2813 C CA . ASP B 2 46 ? 30.449 -28.203 -40.740 1.00 65.76 ? 46 ASP B CA 1 ATOM 2814 C C . ASP B 2 46 ? 31.724 -28.297 -39.921 1.00 66.37 ? 46 ASP B C 1 ATOM 2815 O O . ASP B 2 46 ? 31.712 -28.733 -38.785 1.00 70.17 ? 46 ASP B O 1 ATOM 2816 C CB . ASP B 2 46 ? 30.346 -29.479 -41.571 1.00 70.50 ? 46 ASP B CB 1 ATOM 2817 C CG . ASP B 2 46 ? 28.979 -29.687 -42.170 1.00 78.51 ? 46 ASP B CG 1 ATOM 2818 O OD1 . ASP B 2 46 ? 28.029 -29.002 -41.732 1.00 80.74 ? 46 ASP B OD1 1 ATOM 2819 O OD2 . ASP B 2 46 ? 28.866 -30.536 -43.094 1.00 83.79 ? 46 ASP B OD2 1 ATOM 2820 N N . GLN B 2 47 ? 32.841 -27.910 -40.503 1.00 66.20 ? 47 GLN B N 1 ATOM 2821 C CA . GLN B 2 47 ? 34.085 -27.952 -39.760 1.00 66.13 ? 47 GLN B CA 1 ATOM 2822 C C . GLN B 2 47 ? 34.169 -26.887 -38.664 1.00 64.49 ? 47 GLN B C 1 ATOM 2823 O O . GLN B 2 47 ? 34.783 -27.096 -37.625 1.00 67.47 ? 47 GLN B O 1 ATOM 2824 C CB . GLN B 2 47 ? 35.247 -27.809 -40.717 1.00 65.36 ? 47 GLN B CB 1 ATOM 2825 C CG . GLN B 2 47 ? 35.359 -28.979 -41.663 1.00 65.43 ? 47 GLN B CG 1 ATOM 2826 C CD . GLN B 2 47 ? 36.509 -28.807 -42.610 1.00 62.78 ? 47 GLN B CD 1 ATOM 2827 O OE1 . GLN B 2 47 ? 36.302 -28.567 -43.784 1.00 59.09 ? 47 GLN B OE1 1 ATOM 2828 N NE2 . GLN B 2 47 ? 37.733 -28.899 -42.093 1.00 63.28 ? 47 GLN B NE2 1 ATOM 2829 N N . ILE B 2 48 ? 33.534 -25.753 -38.892 1.00 62.90 ? 48 ILE B N 1 ATOM 2830 C CA . ILE B 2 48 ? 33.647 -24.632 -37.990 1.00 61.00 ? 48 ILE B CA 1 ATOM 2831 C C . ILE B 2 48 ? 32.579 -24.619 -36.902 1.00 66.83 ? 48 ILE B C 1 ATOM 2832 O O . ILE B 2 48 ? 32.851 -24.208 -35.783 1.00 70.36 ? 48 ILE B O 1 ATOM 2833 C CB . ILE B 2 48 ? 33.622 -23.343 -38.795 1.00 62.90 ? 48 ILE B CB 1 ATOM 2834 C CG1 . ILE B 2 48 ? 34.859 -23.292 -39.699 1.00 64.34 ? 48 ILE B CG1 1 ATOM 2835 C CG2 . ILE B 2 48 ? 33.587 -22.133 -37.886 1.00 66.85 ? 48 ILE B CG2 1 ATOM 2836 C CD1 . ILE B 2 48 ? 34.807 -22.188 -40.725 1.00 67.58 ? 48 ILE B CD1 1 ATOM 2837 N N . ASN B 2 49 ? 31.368 -25.058 -37.204 1.00 71.95 ? 49 ASN B N 1 ATOM 2838 C CA . ASN B 2 49 ? 30.389 -25.226 -36.145 1.00 78.09 ? 49 ASN B CA 1 ATOM 2839 C C . ASN B 2 49 ? 30.823 -26.281 -35.125 1.00 79.54 ? 49 ASN B C 1 ATOM 2840 O O . ASN B 2 49 ? 31.265 -27.370 -35.490 1.00 75.10 ? 49 ASN B O 1 ATOM 2841 C CB . ASN B 2 49 ? 29.008 -25.534 -36.723 1.00 84.52 ? 49 ASN B CB 1 ATOM 2842 C CG . ASN B 2 49 ? 28.296 -24.274 -37.193 1.00 91.17 ? 49 ASN B CG 1 ATOM 2843 O OD1 . ASN B 2 49 ? 28.487 -23.192 -36.630 1.00 89.57 ? 49 ASN B OD1 1 ATOM 2844 N ND2 . ASN B 2 49 ? 27.464 -24.406 -38.220 1.00 95.91 ? 49 ASN B ND2 1 ATOM 2845 N N . GLY B 2 50 ? 30.736 -25.929 -33.842 1.00 83.74 ? 50 GLY B N 1 ATOM 2846 C CA . GLY B 2 50 ? 31.051 -26.868 -32.744 1.00 85.92 ? 50 GLY B CA 1 ATOM 2847 C C . GLY B 2 50 ? 32.489 -27.349 -32.703 1.00 75.87 ? 50 GLY B C 1 ATOM 2848 O O . GLY B 2 50 ? 32.796 -28.401 -32.168 1.00 82.54 ? 50 GLY B O 1 ATOM 2849 N N . LYS B 2 51 ? 33.355 -26.553 -33.295 1.00 68.96 ? 51 LYS B N 1 ATOM 2850 C CA . LYS B 2 51 ? 34.797 -26.738 -33.302 1.00 64.88 ? 51 LYS B CA 1 ATOM 2851 C C . LYS B 2 51 ? 35.394 -26.857 -31.907 1.00 63.87 ? 51 LYS B C 1 ATOM 2852 O O . LYS B 2 51 ? 36.205 -27.730 -31.620 1.00 60.97 ? 51 LYS B O 1 ATOM 2853 C CB . LYS B 2 51 ? 35.346 -25.480 -33.920 1.00 64.66 ? 51 LYS B CB 1 ATOM 2854 C CG . LYS B 2 51 ? 36.713 -25.521 -34.510 1.00 65.60 ? 51 LYS B CG 1 ATOM 2855 C CD . LYS B 2 51 ? 36.686 -24.404 -35.531 1.00 65.98 ? 51 LYS B CD 1 ATOM 2856 C CE . LYS B 2 51 ? 38.062 -23.944 -35.854 1.00 67.49 ? 51 LYS B CE 1 ATOM 2857 N NZ . LYS B 2 51 ? 38.819 -25.007 -36.510 1.00 62.48 ? 51 LYS B NZ 1 ATOM 2858 N N . LEU B 2 52 ? 34.983 -25.946 -31.044 1.00 65.84 ? 52 LEU B N 1 ATOM 2859 C CA . LEU B 2 52 ? 35.481 -25.916 -29.702 1.00 63.06 ? 52 LEU B CA 1 ATOM 2860 C C . LEU B 2 52 ? 35.006 -27.132 -28.934 1.00 60.20 ? 52 LEU B C 1 ATOM 2861 O O . LEU B 2 52 ? 35.764 -27.664 -28.149 1.00 55.76 ? 52 LEU B O 1 ATOM 2862 C CB . LEU B 2 52 ? 35.045 -24.637 -29.015 1.00 68.02 ? 52 LEU B CB 1 ATOM 2863 C CG . LEU B 2 52 ? 36.172 -23.923 -28.291 1.00 72.73 ? 52 LEU B CG 1 ATOM 2864 C CD1 . LEU B 2 52 ? 37.454 -23.924 -29.107 1.00 71.65 ? 52 LEU B CD1 1 ATOM 2865 C CD2 . LEU B 2 52 ? 35.739 -22.499 -28.010 1.00 76.45 ? 52 LEU B CD2 1 ATOM 2866 N N . ASN B 2 53 ? 33.805 -27.628 -29.215 1.00 59.42 ? 53 ASN B N 1 ATOM 2867 C CA . ASN B 2 53 ? 33.318 -28.837 -28.536 1.00 62.12 ? 53 ASN B CA 1 ATOM 2868 C C . ASN B 2 53 ? 34.176 -30.069 -28.718 1.00 60.85 ? 53 ASN B C 1 ATOM 2869 O O . ASN B 2 53 ? 34.139 -30.964 -27.899 1.00 62.82 ? 53 ASN B O 1 ATOM 2870 C CB . ASN B 2 53 ? 31.902 -29.190 -28.964 1.00 68.37 ? 53 ASN B CB 1 ATOM 2871 C CG . ASN B 2 53 ? 30.872 -28.301 -28.327 1.00 74.96 ? 53 ASN B CG 1 ATOM 2872 O OD1 . ASN B 2 53 ? 29.790 -28.757 -27.987 1.00 92.13 ? 53 ASN B OD1 1 ATOM 2873 N ND2 . ASN B 2 53 ? 31.205 -27.034 -28.142 1.00 75.80 ? 53 ASN B ND2 1 ATOM 2874 N N . ARG B 2 54 ? 34.953 -30.122 -29.782 1.00 59.78 ? 54 ARG B N 1 ATOM 2875 C CA . ARG B 2 54 ? 35.806 -31.268 -30.022 1.00 60.04 ? 54 ARG B CA 1 ATOM 2876 C C . ARG B 2 54 ? 37.057 -31.237 -29.132 1.00 60.36 ? 54 ARG B C 1 ATOM 2877 O O . ARG B 2 54 ? 37.810 -32.198 -29.091 1.00 60.27 ? 54 ARG B O 1 ATOM 2878 C CB . ARG B 2 54 ? 36.223 -31.306 -31.493 1.00 60.92 ? 54 ARG B CB 1 ATOM 2879 C CG . ARG B 2 54 ? 35.064 -31.209 -32.443 1.00 60.76 ? 54 ARG B CG 1 ATOM 2880 C CD . ARG B 2 54 ? 35.490 -31.407 -33.878 1.00 64.17 ? 54 ARG B CD 1 ATOM 2881 N NE . ARG B 2 54 ? 34.306 -31.220 -34.703 1.00 63.65 ? 54 ARG B NE 1 ATOM 2882 C CZ . ARG B 2 54 ? 34.102 -30.196 -35.508 1.00 60.20 ? 54 ARG B CZ 1 ATOM 2883 N NH1 . ARG B 2 54 ? 35.031 -29.274 -35.694 1.00 65.33 ? 54 ARG B NH1 1 ATOM 2884 N NH2 . ARG B 2 54 ? 32.963 -30.107 -36.155 1.00 60.94 ? 54 ARG B NH2 1 ATOM 2885 N N . VAL B 2 55 ? 37.295 -30.139 -28.432 1.00 60.70 ? 55 VAL B N 1 ATOM 2886 C CA . VAL B 2 55 ? 38.397 -30.085 -27.482 1.00 63.55 ? 55 VAL B CA 1 ATOM 2887 C C . VAL B 2 55 ? 37.987 -29.931 -26.001 1.00 66.31 ? 55 VAL B C 1 ATOM 2888 O O . VAL B 2 55 ? 38.548 -30.602 -25.142 1.00 76.75 ? 55 VAL B O 1 ATOM 2889 C CB . VAL B 2 55 ? 39.325 -28.943 -27.861 1.00 63.60 ? 55 VAL B CB 1 ATOM 2890 C CG1 . VAL B 2 55 ? 40.386 -28.750 -26.789 1.00 66.16 ? 55 VAL B CG1 1 ATOM 2891 C CG2 . VAL B 2 55 ? 39.942 -29.235 -29.212 1.00 62.41 ? 55 VAL B CG2 1 ATOM 2892 N N . ILE B 2 56 ? 37.055 -29.031 -25.698 1.00 69.08 ? 56 ILE B N 1 ATOM 2893 C CA . ILE B 2 56 ? 36.550 -28.863 -24.329 1.00 71.64 ? 56 ILE B CA 1 ATOM 2894 C C . ILE B 2 56 ? 35.266 -29.655 -24.151 1.00 78.62 ? 56 ILE B C 1 ATOM 2895 O O . ILE B 2 56 ? 34.345 -29.575 -24.965 1.00 77.22 ? 56 ILE B O 1 ATOM 2896 C CB . ILE B 2 56 ? 36.338 -27.383 -23.914 1.00 71.63 ? 56 ILE B CB 1 ATOM 2897 C CG1 . ILE B 2 56 ? 35.382 -26.628 -24.864 1.00 88.59 ? 56 ILE B CG1 1 ATOM 2898 C CG2 . ILE B 2 56 ? 37.669 -26.636 -23.899 1.00 67.23 ? 56 ILE B CG2 1 ATOM 2899 C CD1 . ILE B 2 56 ? 33.885 -26.951 -24.794 1.00 91.95 ? 56 ILE B CD1 1 ATOM 2900 N N . GLU B 2 57 ? 35.219 -30.455 -23.095 1.00 90.71 ? 57 GLU B N 1 ATOM 2901 C CA . GLU B 2 57 ? 33.983 -31.131 -22.721 1.00 110.56 ? 57 GLU B CA 1 ATOM 2902 C C . GLU B 2 57 ? 33.013 -30.090 -22.173 1.00 106.69 ? 57 GLU B C 1 ATOM 2903 O O . GLU B 2 57 ? 33.423 -29.058 -21.621 1.00 96.89 ? 57 GLU B O 1 ATOM 2904 C CB . GLU B 2 57 ? 34.228 -32.250 -21.684 1.00 121.20 ? 57 GLU B CB 1 ATOM 2905 C CG . GLU B 2 57 ? 34.726 -33.573 -22.276 1.00 131.92 ? 57 GLU B CG 1 ATOM 2906 C CD . GLU B 2 57 ? 36.239 -33.615 -22.511 1.00 138.01 ? 57 GLU B CD 1 ATOM 2907 O OE1 . GLU B 2 57 ? 36.807 -32.657 -23.088 1.00 135.85 ? 57 GLU B OE1 1 ATOM 2908 O OE2 . GLU B 2 57 ? 36.869 -34.622 -22.119 1.00 142.31 ? 57 GLU B OE2 1 ATOM 2909 N N . ARG B 2 58 ? 31.723 -30.355 -22.334 1.00 108.94 ? 58 ARG B N 1 ATOM 2910 C CA . ARG B 2 58 ? 30.736 -29.455 -21.783 1.00 111.96 ? 58 ARG B CA 1 ATOM 2911 C C . ARG B 2 58 ? 31.105 -29.189 -20.324 1.00 102.46 ? 58 ARG B C 1 ATOM 2912 O O . ARG B 2 58 ? 31.249 -30.112 -19.522 1.00 99.80 ? 58 ARG B O 1 ATOM 2913 C CB . ARG B 2 58 ? 29.298 -29.981 -21.950 1.00 123.21 ? 58 ARG B CB 1 ATOM 2914 C CG . ARG B 2 58 ? 28.795 -31.000 -20.927 1.00 130.83 ? 58 ARG B CG 1 ATOM 2915 C CD . ARG B 2 58 ? 29.480 -32.357 -21.045 1.00 130.17 ? 58 ARG B CD 1 ATOM 2916 N NE . ARG B 2 58 ? 28.773 -33.374 -20.262 1.00 129.03 ? 58 ARG B NE 1 ATOM 2917 C CZ . ARG B 2 58 ? 27.634 -33.978 -20.619 1.00 124.50 ? 58 ARG B CZ 1 ATOM 2918 N NH1 . ARG B 2 58 ? 27.019 -33.694 -21.768 1.00 119.36 ? 58 ARG B NH1 1 ATOM 2919 N NH2 . ARG B 2 58 ? 27.096 -34.882 -19.809 1.00 126.03 ? 58 ARG B NH2 1 ATOM 2920 N N . THR B 2 59 ? 31.378 -27.918 -20.055 1.00 96.33 ? 59 THR B N 1 ATOM 2921 C CA . THR B 2 59 ? 31.403 -27.320 -18.720 1.00 93.19 ? 59 THR B CA 1 ATOM 2922 C C . THR B 2 59 ? 30.890 -28.196 -17.567 1.00 86.84 ? 59 THR B C 1 ATOM 2923 O O . THR B 2 59 ? 29.763 -28.688 -17.602 1.00 77.57 ? 59 THR B O 1 ATOM 2924 C CB . THR B 2 59 ? 30.552 -26.029 -18.745 1.00 92.35 ? 59 THR B CB 1 ATOM 2925 O OG1 . THR B 2 59 ? 30.963 -25.202 -19.845 1.00 87.16 ? 59 THR B OG1 1 ATOM 2926 C CG2 . THR B 2 59 ? 30.711 -25.251 -17.459 1.00 93.09 ? 59 THR B CG2 1 ATOM 2927 N N . ASN B 2 60 ? 31.708 -28.362 -16.531 1.00 84.28 ? 60 ASN B N 1 ATOM 2928 C CA . ASN B 2 60 ? 31.314 -29.241 -15.444 1.00 90.71 ? 60 ASN B CA 1 ATOM 2929 C C . ASN B 2 60 ? 30.896 -28.498 -14.171 1.00 81.68 ? 60 ASN B C 1 ATOM 2930 O O . ASN B 2 60 ? 31.372 -27.398 -13.909 1.00 75.44 ? 60 ASN B O 1 ATOM 2931 C CB . ASN B 2 60 ? 32.413 -30.280 -15.154 1.00 95.53 ? 60 ASN B CB 1 ATOM 2932 C CG . ASN B 2 60 ? 31.834 -31.674 -14.865 1.00 99.92 ? 60 ASN B CG 1 ATOM 2933 O OD1 . ASN B 2 60 ? 31.002 -32.196 -15.622 1.00 93.50 ? 60 ASN B OD1 1 ATOM 2934 N ND2 . ASN B 2 60 ? 32.257 -32.269 -13.754 1.00 104.49 ? 60 ASN B ND2 1 ATOM 2935 N N . GLU B 2 61 ? 29.980 -29.100 -13.412 1.00 75.61 ? 61 GLU B N 1 ATOM 2936 C CA . GLU B 2 61 ? 29.577 -28.571 -12.127 1.00 76.32 ? 61 GLU B CA 1 ATOM 2937 C C . GLU B 2 61 ? 30.733 -28.705 -11.155 1.00 74.62 ? 61 GLU B C 1 ATOM 2938 O O . GLU B 2 61 ? 31.369 -29.738 -11.087 1.00 79.86 ? 61 GLU B O 1 ATOM 2939 C CB . GLU B 2 61 ? 28.377 -29.327 -11.568 1.00 83.10 ? 61 GLU B CB 1 ATOM 2940 C CG . GLU B 2 61 ? 27.020 -28.957 -12.161 1.00 92.03 ? 61 GLU B CG 1 ATOM 2941 C CD . GLU B 2 61 ? 25.863 -29.609 -11.406 1.00 101.28 ? 61 GLU B CD 1 ATOM 2942 O OE1 . GLU B 2 61 ? 25.708 -30.840 -11.540 1.00 110.49 ? 61 GLU B OE1 1 ATOM 2943 O OE2 . GLU B 2 61 ? 25.113 -28.912 -10.668 1.00 101.24 ? 61 GLU B OE2 1 ATOM 2944 N N . LYS B 2 62 ? 31.017 -27.650 -10.413 1.00 71.36 ? 62 LYS B N 1 ATOM 2945 C CA . LYS B 2 62 ? 31.937 -27.731 -9.305 1.00 66.60 ? 62 LYS B CA 1 ATOM 2946 C C . LYS B 2 62 ? 31.368 -27.010 -8.099 1.00 64.20 ? 62 LYS B C 1 ATOM 2947 O O . LYS B 2 62 ? 30.883 -25.911 -8.208 1.00 65.90 ? 62 LYS B O 1 ATOM 2948 C CB . LYS B 2 62 ? 33.270 -27.167 -9.711 1.00 67.35 ? 62 LYS B CB 1 ATOM 2949 C CG . LYS B 2 62 ? 34.016 -28.161 -10.569 1.00 75.44 ? 62 LYS B CG 1 ATOM 2950 C CD . LYS B 2 62 ? 35.354 -27.640 -11.060 1.00 79.58 ? 62 LYS B CD 1 ATOM 2951 C CE . LYS B 2 62 ? 35.949 -28.610 -12.072 1.00 86.52 ? 62 LYS B CE 1 ATOM 2952 N NZ . LYS B 2 62 ? 36.086 -29.983 -11.487 1.00 90.99 ? 62 LYS B NZ 1 ATOM 2953 N N . PHE B 2 63 ? 31.449 -27.644 -6.945 1.00 63.00 ? 63 PHE B N 1 ATOM 2954 C CA . PHE B 2 63 ? 30.724 -27.203 -5.783 1.00 64.53 ? 63 PHE B CA 1 ATOM 2955 C C . PHE B 2 63 ? 31.672 -26.644 -4.740 1.00 59.96 ? 63 PHE B C 1 ATOM 2956 O O . PHE B 2 63 ? 32.364 -25.696 -5.052 1.00 60.36 ? 63 PHE B O 1 ATOM 2957 C CB . PHE B 2 63 ? 29.889 -28.361 -5.279 1.00 70.02 ? 63 PHE B CB 1 ATOM 2958 C CG . PHE B 2 63 ? 28.938 -28.899 -6.304 1.00 73.70 ? 63 PHE B CG 1 ATOM 2959 C CD1 . PHE B 2 63 ? 28.073 -28.044 -6.992 1.00 75.72 ? 63 PHE B CD1 1 ATOM 2960 C CD2 . PHE B 2 63 ? 28.878 -30.262 -6.565 1.00 78.32 ? 63 PHE B CD2 1 ATOM 2961 C CE1 . PHE B 2 63 ? 27.171 -28.535 -7.925 1.00 77.82 ? 63 PHE B CE1 1 ATOM 2962 C CE2 . PHE B 2 63 ? 27.974 -30.764 -7.492 1.00 82.25 ? 63 PHE B CE2 1 ATOM 2963 C CZ . PHE B 2 63 ? 27.122 -29.898 -8.173 1.00 83.01 ? 63 PHE B CZ 1 ATOM 2964 N N . HIS B 2 64 ? 31.731 -27.206 -3.529 1.00 60.31 ? 64 HIS B N 1 ATOM 2965 C CA . HIS B 2 64 ? 32.625 -26.678 -2.507 1.00 58.47 ? 64 HIS B CA 1 ATOM 2966 C C . HIS B 2 64 ? 34.058 -26.922 -2.944 1.00 57.14 ? 64 HIS B C 1 ATOM 2967 O O . HIS B 2 64 ? 34.334 -27.925 -3.570 1.00 59.82 ? 64 HIS B O 1 ATOM 2968 C CB . HIS B 2 64 ? 32.358 -27.299 -1.138 1.00 62.36 ? 64 HIS B CB 1 ATOM 2969 C CG . HIS B 2 64 ? 33.047 -26.579 -0.027 1.00 66.78 ? 64 HIS B CG 1 ATOM 2970 N ND1 . HIS B 2 64 ? 32.809 -25.252 0.254 1.00 66.37 ? 64 HIS B ND1 1 ATOM 2971 C CD2 . HIS B 2 64 ? 34.008 -26.976 0.835 1.00 69.69 ? 64 HIS B CD2 1 ATOM 2972 C CE1 . HIS B 2 64 ? 33.564 -24.873 1.265 1.00 67.31 ? 64 HIS B CE1 1 ATOM 2973 N NE2 . HIS B 2 64 ? 34.302 -25.900 1.637 1.00 69.65 ? 64 HIS B NE2 1 ATOM 2974 N N . GLN B 2 65 ? 34.947 -25.974 -2.675 1.00 57.23 ? 65 GLN B N 1 ATOM 2975 C CA . GLN B 2 65 ? 36.334 -26.053 -3.102 1.00 56.17 ? 65 GLN B CA 1 ATOM 2976 C C . GLN B 2 65 ? 37.221 -25.524 -1.989 1.00 56.67 ? 65 GLN B C 1 ATOM 2977 O O . GLN B 2 65 ? 36.956 -25.790 -0.825 1.00 66.21 ? 65 GLN B O 1 ATOM 2978 C CB . GLN B 2 65 ? 36.530 -25.263 -4.399 1.00 57.89 ? 65 GLN B CB 1 ATOM 2979 C CG . GLN B 2 65 ? 35.766 -25.835 -5.581 1.00 63.72 ? 65 GLN B CG 1 ATOM 2980 C CD . GLN B 2 65 ? 35.561 -24.856 -6.728 1.00 65.83 ? 65 GLN B CD 1 ATOM 2981 O OE1 . GLN B 2 65 ? 34.439 -24.441 -7.006 1.00 75.84 ? 65 GLN B OE1 1 ATOM 2982 N NE2 . GLN B 2 65 ? 36.628 -24.509 -7.409 1.00 65.25 ? 65 GLN B NE2 1 ATOM 2983 N N . ILE B 2 66 ? 38.291 -24.825 -2.343 1.00 54.81 ? 66 ILE B N 1 ATOM 2984 C CA . ILE B 2 66 ? 39.102 -24.082 -1.393 1.00 51.94 ? 66 ILE B CA 1 ATOM 2985 C C . ILE B 2 66 ? 38.756 -22.607 -1.485 1.00 51.67 ? 66 ILE B C 1 ATOM 2986 O O . ILE B 2 66 ? 38.324 -22.118 -2.531 1.00 55.55 ? 66 ILE B O 1 ATOM 2987 C CB . ILE B 2 66 ? 40.648 -24.213 -1.630 1.00 49.06 ? 66 ILE B CB 1 ATOM 2988 C CG1 . ILE B 2 66 ? 41.087 -23.702 -2.997 1.00 51.46 ? 66 ILE B CG1 1 ATOM 2989 C CG2 . ILE B 2 66 ? 41.122 -25.644 -1.485 1.00 49.94 ? 66 ILE B CG2 1 ATOM 2990 C CD1 . ILE B 2 66 ? 42.588 -23.617 -3.153 1.00 53.53 ? 66 ILE B CD1 1 ATOM 2991 N N . GLU B 2 67 ? 39.003 -21.923 -0.384 1.00 51.14 ? 67 GLU B N 1 ATOM 2992 C CA . GLU B 2 67 ? 38.901 -20.490 -0.278 1.00 54.29 ? 67 GLU B CA 1 ATOM 2993 C C . GLU B 2 67 ? 40.022 -19.886 -1.085 1.00 53.04 ? 67 GLU B C 1 ATOM 2994 O O . GLU B 2 67 ? 41.072 -20.473 -1.216 1.00 54.43 ? 67 GLU B O 1 ATOM 2995 C CB . GLU B 2 67 ? 39.036 -20.031 1.197 1.00 54.09 ? 67 GLU B CB 1 ATOM 2996 C CG . GLU B 2 67 ? 37.980 -20.559 2.188 1.00 54.75 ? 67 GLU B CG 1 ATOM 2997 C CD . GLU B 2 67 ? 36.516 -20.264 1.825 1.00 62.04 ? 67 GLU B CD 1 ATOM 2998 O OE1 . GLU B 2 67 ? 36.205 -19.218 1.229 1.00 65.27 ? 67 GLU B OE1 1 ATOM 2999 O OE2 . GLU B 2 67 ? 35.634 -21.095 2.161 1.00 73.84 ? 67 GLU B OE2 1 ATOM 3000 N N . LYS B 2 68 ? 39.791 -18.691 -1.614 1.00 57.28 ? 68 LYS B N 1 ATOM 3001 C CA . LYS B 2 68 ? 40.775 -18.006 -2.458 1.00 54.13 ? 68 LYS B CA 1 ATOM 3002 C C . LYS B 2 68 ? 41.065 -16.549 -2.103 1.00 55.28 ? 68 LYS B C 1 ATOM 3003 O O . LYS B 2 68 ? 41.818 -15.905 -2.800 1.00 61.37 ? 68 LYS B O 1 ATOM 3004 C CB . LYS B 2 68 ? 40.280 -18.090 -3.899 1.00 54.81 ? 68 LYS B CB 1 ATOM 3005 C CG . LYS B 2 68 ? 40.252 -19.532 -4.378 1.00 52.84 ? 68 LYS B CG 1 ATOM 3006 C CD . LYS B 2 68 ? 39.328 -19.728 -5.533 1.00 55.52 ? 68 LYS B CD 1 ATOM 3007 C CE . LYS B 2 68 ? 39.320 -21.187 -5.939 1.00 56.67 ? 68 LYS B CE 1 ATOM 3008 N NZ . LYS B 2 68 ? 38.647 -21.404 -7.230 1.00 53.76 ? 68 LYS B NZ 1 ATOM 3009 N N . GLU B 2 69 ? 40.446 -16.032 -1.047 1.00 57.60 ? 69 GLU B N 1 ATOM 3010 C CA . GLU B 2 69 ? 40.643 -14.676 -0.563 1.00 57.74 ? 69 GLU B CA 1 ATOM 3011 C C . GLU B 2 69 ? 40.715 -14.807 0.935 1.00 59.51 ? 69 GLU B C 1 ATOM 3012 O O . GLU B 2 69 ? 39.930 -15.535 1.525 1.00 53.53 ? 69 GLU B O 1 ATOM 3013 C CB . GLU B 2 69 ? 39.474 -13.769 -0.923 1.00 63.19 ? 69 GLU B CB 1 ATOM 3014 C CG . GLU B 2 69 ? 39.312 -13.523 -2.419 1.00 73.28 ? 69 GLU B CG 1 ATOM 3015 C CD . GLU B 2 69 ? 37.969 -12.919 -2.809 1.00 80.43 ? 69 GLU B CD 1 ATOM 3016 O OE1 . GLU B 2 69 ? 36.918 -13.337 -2.265 1.00 83.55 ? 69 GLU B OE1 1 ATOM 3017 O OE2 . GLU B 2 69 ? 37.964 -12.027 -3.683 1.00 90.60 ? 69 GLU B OE2 1 ATOM 3018 N N . PHE B 2 70 ? 41.656 -14.088 1.539 1.00 61.28 ? 70 PHE B N 1 ATOM 3019 C CA . PHE B 2 70 ? 41.979 -14.251 2.929 1.00 60.12 ? 70 PHE B CA 1 ATOM 3020 C C . PHE B 2 70 ? 42.029 -12.914 3.614 1.00 62.63 ? 70 PHE B C 1 ATOM 3021 O O . PHE B 2 70 ? 42.533 -11.955 3.078 1.00 63.83 ? 70 PHE B O 1 ATOM 3022 C CB . PHE B 2 70 ? 43.319 -14.959 3.052 1.00 57.66 ? 70 PHE B CB 1 ATOM 3023 C CG . PHE B 2 70 ? 43.330 -16.301 2.398 1.00 56.36 ? 70 PHE B CG 1 ATOM 3024 C CD1 . PHE B 2 70 ? 42.938 -17.436 3.105 1.00 53.77 ? 70 PHE B CD1 1 ATOM 3025 C CD2 . PHE B 2 70 ? 43.684 -16.430 1.050 1.00 52.28 ? 70 PHE B CD2 1 ATOM 3026 C CE1 . PHE B 2 70 ? 42.922 -18.677 2.482 1.00 54.03 ? 70 PHE B CE1 1 ATOM 3027 C CE2 . PHE B 2 70 ? 43.672 -17.666 0.430 1.00 49.43 ? 70 PHE B CE2 1 ATOM 3028 C CZ . PHE B 2 70 ? 43.287 -18.790 1.139 1.00 52.46 ? 70 PHE B CZ 1 ATOM 3029 N N . SER B 2 71 ? 41.494 -12.868 4.820 1.00 68.84 ? 71 SER B N 1 ATOM 3030 C CA . SER B 2 71 ? 41.372 -11.639 5.559 1.00 69.07 ? 71 SER B CA 1 ATOM 3031 C C . SER B 2 71 ? 42.480 -11.527 6.601 1.00 71.68 ? 71 SER B C 1 ATOM 3032 O O . SER B 2 71 ? 42.656 -10.476 7.204 1.00 75.96 ? 71 SER B O 1 ATOM 3033 C CB . SER B 2 71 ? 39.987 -11.585 6.216 1.00 70.69 ? 71 SER B CB 1 ATOM 3034 O OG . SER B 2 71 ? 40.000 -12.250 7.463 1.00 74.66 ? 71 SER B OG 1 ATOM 3035 N N . GLU B 2 72 ? 43.222 -12.600 6.835 1.00 73.06 ? 72 GLU B N 1 ATOM 3036 C CA . GLU B 2 72 ? 44.347 -12.525 7.757 1.00 79.19 ? 72 GLU B CA 1 ATOM 3037 C C . GLU B 2 72 ? 45.566 -13.212 7.200 1.00 73.01 ? 72 GLU B C 1 ATOM 3038 O O . GLU B 2 72 ? 45.467 -14.104 6.371 1.00 70.51 ? 72 GLU B O 1 ATOM 3039 C CB . GLU B 2 72 ? 44.011 -13.087 9.161 1.00 90.79 ? 72 GLU B CB 1 ATOM 3040 C CG . GLU B 2 72 ? 42.963 -14.202 9.242 1.00 97.06 ? 72 GLU B CG 1 ATOM 3041 C CD . GLU B 2 72 ? 41.592 -13.721 9.730 1.00 104.04 ? 72 GLU B CD 1 ATOM 3042 O OE1 . GLU B 2 72 ? 41.438 -12.521 10.086 1.00 100.38 ? 72 GLU B OE1 1 ATOM 3043 O OE2 . GLU B 2 72 ? 40.659 -14.557 9.763 1.00 98.44 ? 72 GLU B OE2 1 ATOM 3044 N N . VAL B 2 73 ? 46.728 -12.786 7.667 1.00 72.59 ? 73 VAL B N 1 ATOM 3045 C CA . VAL B 2 73 ? 47.973 -13.437 7.283 1.00 75.03 ? 73 VAL B CA 1 ATOM 3046 C C . VAL B 2 73 ? 48.142 -14.689 8.163 1.00 65.03 ? 73 VAL B C 1 ATOM 3047 O O . VAL B 2 73 ? 47.817 -14.654 9.319 1.00 64.94 ? 73 VAL B O 1 ATOM 3048 C CB . VAL B 2 73 ? 49.167 -12.445 7.349 1.00 79.11 ? 73 VAL B CB 1 ATOM 3049 C CG1 . VAL B 2 73 ? 49.834 -12.448 8.709 1.00 80.44 ? 73 VAL B CG1 1 ATOM 3050 C CG2 . VAL B 2 73 ? 50.179 -12.760 6.251 1.00 90.12 ? 73 VAL B CG2 1 ATOM 3051 N N . GLU B 2 74 ? 48.581 -15.798 7.581 1.00 62.89 ? 74 GLU B N 1 ATOM 3052 C CA . GLU B 2 74 ? 48.688 -17.086 8.285 1.00 58.43 ? 74 GLU B CA 1 ATOM 3053 C C . GLU B 2 74 ? 49.977 -17.839 7.978 1.00 58.07 ? 74 GLU B C 1 ATOM 3054 O O . GLU B 2 74 ? 50.391 -18.682 8.767 1.00 61.87 ? 74 GLU B O 1 ATOM 3055 C CB . GLU B 2 74 ? 47.538 -18.013 7.903 1.00 57.59 ? 74 GLU B CB 1 ATOM 3056 C CG . GLU B 2 74 ? 46.141 -17.458 8.094 1.00 59.70 ? 74 GLU B CG 1 ATOM 3057 C CD . GLU B 2 74 ? 45.091 -18.345 7.437 1.00 63.98 ? 74 GLU B CD 1 ATOM 3058 O OE1 . GLU B 2 74 ? 45.002 -18.374 6.181 1.00 67.43 ? 74 GLU B OE1 1 ATOM 3059 O OE2 . GLU B 2 74 ? 44.355 -19.031 8.173 1.00 64.47 ? 74 GLU B OE2 1 ATOM 3060 N N . GLY B 2 75 ? 50.569 -17.580 6.810 1.00 58.30 ? 75 GLY B N 1 ATOM 3061 C CA . GLY B 2 75 ? 51.812 -18.222 6.399 1.00 56.90 ? 75 GLY B CA 1 ATOM 3062 C C . GLY B 2 75 ? 51.579 -19.504 5.637 1.00 54.90 ? 75 GLY B C 1 ATOM 3063 O O . GLY B 2 75 ? 50.749 -19.568 4.741 1.00 59.45 ? 75 GLY B O 1 ATOM 3064 N N . ARG B 2 76 ? 52.280 -20.543 6.051 1.00 58.99 ? 76 ARG B N 1 ATOM 3065 C CA . ARG B 2 76 ? 52.481 -21.763 5.255 1.00 57.58 ? 76 ARG B CA 1 ATOM 3066 C C . ARG B 2 76 ? 51.277 -22.272 4.486 1.00 55.61 ? 76 ARG B C 1 ATOM 3067 O O . ARG B 2 76 ? 51.379 -22.565 3.307 1.00 60.63 ? 76 ARG B O 1 ATOM 3068 C CB . ARG B 2 76 ? 52.979 -22.876 6.170 1.00 58.21 ? 76 ARG B CB 1 ATOM 3069 C CG . ARG B 2 76 ? 53.662 -23.989 5.426 1.00 60.04 ? 76 ARG B CG 1 ATOM 3070 C CD . ARG B 2 76 ? 54.299 -24.986 6.375 1.00 59.93 ? 76 ARG B CD 1 ATOM 3071 N NE . ARG B 2 76 ? 54.928 -26.079 5.640 1.00 57.22 ? 76 ARG B NE 1 ATOM 3072 C CZ . ARG B 2 76 ? 55.779 -26.932 6.185 1.00 58.46 ? 76 ARG B CZ 1 ATOM 3073 N NH1 . ARG B 2 76 ? 56.106 -26.812 7.460 1.00 57.58 ? 76 ARG B NH1 1 ATOM 3074 N NH2 . ARG B 2 76 ? 56.318 -27.898 5.453 1.00 59.45 ? 76 ARG B NH2 1 ATOM 3075 N N . ILE B 2 77 ? 50.135 -22.382 5.149 1.00 56.87 ? 77 ILE B N 1 ATOM 3076 C CA . ILE B 2 77 ? 48.978 -23.057 4.555 1.00 56.04 ? 77 ILE B CA 1 ATOM 3077 C C . ILE B 2 77 ? 48.315 -22.123 3.594 1.00 55.94 ? 77 ILE B C 1 ATOM 3078 O O . ILE B 2 77 ? 47.815 -22.554 2.575 1.00 59.12 ? 77 ILE B O 1 ATOM 3079 C CB . ILE B 2 77 ? 47.916 -23.496 5.598 1.00 59.09 ? 77 ILE B CB 1 ATOM 3080 C CG1 . ILE B 2 77 ? 48.564 -24.265 6.752 1.00 68.54 ? 77 ILE B CG1 1 ATOM 3081 C CG2 . ILE B 2 77 ? 46.843 -24.382 4.970 1.00 58.97 ? 77 ILE B CG2 1 ATOM 3082 C CD1 . ILE B 2 77 ? 49.235 -25.566 6.340 1.00 73.43 ? 77 ILE B CD1 1 ATOM 3083 N N . GLN B 2 78 ? 48.282 -20.841 3.924 1.00 56.92 ? 78 GLN B N 1 ATOM 3084 C CA . GLN B 2 78 ? 47.703 -19.875 3.022 1.00 57.63 ? 78 GLN B CA 1 ATOM 3085 C C . GLN B 2 78 ? 48.598 -19.683 1.812 1.00 57.76 ? 78 GLN B C 1 ATOM 3086 O O . GLN B 2 78 ? 48.118 -19.552 0.706 1.00 56.21 ? 78 GLN B O 1 ATOM 3087 C CB . GLN B 2 78 ? 47.507 -18.566 3.730 1.00 60.25 ? 78 GLN B CB 1 ATOM 3088 C CG . GLN B 2 78 ? 46.603 -17.609 2.986 1.00 60.72 ? 78 GLN B CG 1 ATOM 3089 C CD . GLN B 2 78 ? 46.479 -16.313 3.736 1.00 56.62 ? 78 GLN B CD 1 ATOM 3090 O OE1 . GLN B 2 78 ? 45.965 -16.281 4.843 1.00 55.20 ? 78 GLN B OE1 1 ATOM 3091 N NE2 . GLN B 2 78 ? 46.989 -15.251 3.159 1.00 53.90 ? 78 GLN B NE2 1 ATOM 3092 N N . ASP B 2 79 ? 49.905 -19.688 2.026 1.00 58.00 ? 79 ASP B N 1 ATOM 3093 C CA . ASP B 2 79 ? 50.844 -19.634 0.923 1.00 57.56 ? 79 ASP B CA 1 ATOM 3094 C C . ASP B 2 79 ? 50.559 -20.733 -0.078 1.00 54.61 ? 79 ASP B C 1 ATOM 3095 O O . ASP B 2 79 ? 50.608 -20.509 -1.280 1.00 54.45 ? 79 ASP B O 1 ATOM 3096 C CB . ASP B 2 79 ? 52.277 -19.803 1.417 1.00 61.27 ? 79 ASP B CB 1 ATOM 3097 C CG . ASP B 2 79 ? 52.778 -18.622 2.233 1.00 68.33 ? 79 ASP B CG 1 ATOM 3098 O OD1 . ASP B 2 79 ? 52.157 -17.520 2.265 1.00 69.70 ? 79 ASP B OD1 1 ATOM 3099 O OD2 . ASP B 2 79 ? 53.841 -18.820 2.848 1.00 78.04 ? 79 ASP B OD2 1 ATOM 3100 N N . LEU B 2 80 ? 50.272 -21.925 0.417 1.00 52.55 ? 80 LEU B N 1 ATOM 3101 C CA . LEU B 2 80 ? 50.055 -23.057 -0.457 1.00 51.77 ? 80 LEU B CA 1 ATOM 3102 C C . LEU B 2 80 ? 48.720 -22.979 -1.193 1.00 52.74 ? 80 LEU B C 1 ATOM 3103 O O . LEU B 2 80 ? 48.634 -23.309 -2.385 1.00 52.50 ? 80 LEU B O 1 ATOM 3104 C CB . LEU B 2 80 ? 50.151 -24.333 0.348 1.00 52.28 ? 80 LEU B CB 1 ATOM 3105 C CG . LEU B 2 80 ? 50.095 -25.634 -0.445 1.00 52.99 ? 80 LEU B CG 1 ATOM 3106 C CD1 . LEU B 2 80 ? 51.130 -25.703 -1.545 1.00 52.81 ? 80 LEU B CD1 1 ATOM 3107 C CD2 . LEU B 2 80 ? 50.281 -26.775 0.520 1.00 51.61 ? 80 LEU B CD2 1 ATOM 3108 N N . GLU B 2 81 ? 47.679 -22.534 -0.498 1.00 54.18 ? 81 GLU B N 1 ATOM 3109 C CA . GLU B 2 81 ? 46.369 -22.338 -1.134 1.00 55.39 ? 81 GLU B CA 1 ATOM 3110 C C . GLU B 2 81 ? 46.483 -21.322 -2.260 1.00 54.54 ? 81 GLU B C 1 ATOM 3111 O O . GLU B 2 81 ? 45.919 -21.509 -3.326 1.00 52.76 ? 81 GLU B O 1 ATOM 3112 C CB . GLU B 2 81 ? 45.314 -21.882 -0.114 1.00 57.85 ? 81 GLU B CB 1 ATOM 3113 C CG . GLU B 2 81 ? 44.889 -22.987 0.866 1.00 63.24 ? 81 GLU B CG 1 ATOM 3114 C CD . GLU B 2 81 ? 44.405 -22.478 2.232 1.00 64.12 ? 81 GLU B CD 1 ATOM 3115 O OE1 . GLU B 2 81 ? 44.925 -21.440 2.702 1.00 67.77 ? 81 GLU B OE1 1 ATOM 3116 O OE2 . GLU B 2 81 ? 43.520 -23.124 2.853 1.00 60.60 ? 81 GLU B OE2 1 ATOM 3117 N N . LYS B 2 82 ? 47.224 -20.252 -2.010 1.00 51.15 ? 82 LYS B N 1 ATOM 3118 C CA . LYS B 2 82 ? 47.421 -19.229 -3.003 1.00 52.43 ? 82 LYS B CA 1 ATOM 3119 C C . LYS B 2 82 ? 48.171 -19.750 -4.193 1.00 53.26 ? 82 LYS B C 1 ATOM 3120 O O . LYS B 2 82 ? 47.771 -19.501 -5.322 1.00 58.29 ? 82 LYS B O 1 ATOM 3121 C CB . LYS B 2 82 ? 48.176 -18.052 -2.435 1.00 55.92 ? 82 LYS B CB 1 ATOM 3122 C CG . LYS B 2 82 ? 47.288 -17.103 -1.664 1.00 62.77 ? 82 LYS B CG 1 ATOM 3123 C CD . LYS B 2 82 ? 48.110 -15.924 -1.187 1.00 71.22 ? 82 LYS B CD 1 ATOM 3124 C CE . LYS B 2 82 ? 47.287 -14.962 -0.353 1.00 75.99 ? 82 LYS B CE 1 ATOM 3125 N NZ . LYS B 2 82 ? 48.192 -14.013 0.341 1.00 81.45 ? 82 LYS B NZ 1 ATOM 3126 N N . TYR B 2 83 ? 49.250 -20.477 -3.945 1.00 51.38 ? 83 TYR B N 1 ATOM 3127 C CA . TYR B 2 83 ? 50.104 -20.951 -5.017 1.00 48.72 ? 83 TYR B CA 1 ATOM 3128 C C . TYR B 2 83 ? 49.385 -21.983 -5.873 1.00 50.97 ? 83 TYR B C 1 ATOM 3129 O O . TYR B 2 83 ? 49.586 -22.029 -7.074 1.00 51.88 ? 83 TYR B O 1 ATOM 3130 C CB . TYR B 2 83 ? 51.350 -21.559 -4.423 1.00 47.30 ? 83 TYR B CB 1 ATOM 3131 C CG . TYR B 2 83 ? 52.424 -21.973 -5.394 1.00 48.96 ? 83 TYR B CG 1 ATOM 3132 C CD1 . TYR B 2 83 ? 53.289 -21.035 -5.947 1.00 48.87 ? 83 TYR B CD1 1 ATOM 3133 C CD2 . TYR B 2 83 ? 52.628 -23.319 -5.709 1.00 49.82 ? 83 TYR B CD2 1 ATOM 3134 C CE1 . TYR B 2 83 ? 54.309 -21.417 -6.805 1.00 48.58 ? 83 TYR B CE1 1 ATOM 3135 C CE2 . TYR B 2 83 ? 53.663 -23.719 -6.546 1.00 47.51 ? 83 TYR B CE2 1 ATOM 3136 C CZ . TYR B 2 83 ? 54.503 -22.772 -7.096 1.00 49.01 ? 83 TYR B CZ 1 ATOM 3137 O OH . TYR B 2 83 ? 55.534 -23.156 -7.942 1.00 46.32 ? 83 TYR B OH 1 ATOM 3138 N N . VAL B 2 84 ? 48.561 -22.820 -5.248 1.00 50.17 ? 84 VAL B N 1 ATOM 3139 C CA . VAL B 2 84 ? 47.781 -23.790 -5.979 1.00 47.09 ? 84 VAL B CA 1 ATOM 3140 C C . VAL B 2 84 ? 46.826 -23.060 -6.902 1.00 48.66 ? 84 VAL B C 1 ATOM 3141 O O . VAL B 2 84 ? 46.740 -23.382 -8.068 1.00 50.43 ? 84 VAL B O 1 ATOM 3142 C CB . VAL B 2 84 ? 47.024 -24.735 -5.023 1.00 48.21 ? 84 VAL B CB 1 ATOM 3143 C CG1 . VAL B 2 84 ? 45.918 -25.504 -5.715 1.00 45.24 ? 84 VAL B CG1 1 ATOM 3144 C CG2 . VAL B 2 84 ? 47.991 -25.717 -4.409 1.00 50.19 ? 84 VAL B CG2 1 ATOM 3145 N N . GLU B 2 85 ? 46.120 -22.053 -6.412 1.00 49.29 ? 85 GLU B N 1 ATOM 3146 C CA . GLU B 2 85 ? 45.160 -21.403 -7.285 1.00 51.48 ? 85 GLU B CA 1 ATOM 3147 C C . GLU B 2 85 ? 45.857 -20.688 -8.445 1.00 52.00 ? 85 GLU B C 1 ATOM 3148 O O . GLU B 2 85 ? 45.378 -20.691 -9.563 1.00 59.35 ? 85 GLU B O 1 ATOM 3149 C CB . GLU B 2 85 ? 44.248 -20.472 -6.513 1.00 50.82 ? 85 GLU B CB 1 ATOM 3150 C CG . GLU B 2 85 ? 43.088 -19.916 -7.338 1.00 58.50 ? 85 GLU B CG 1 ATOM 3151 C CD . GLU B 2 85 ? 42.118 -20.977 -7.876 1.00 60.15 ? 85 GLU B CD 1 ATOM 3152 O OE1 . GLU B 2 85 ? 42.199 -22.149 -7.472 1.00 62.61 ? 85 GLU B OE1 1 ATOM 3153 O OE2 . GLU B 2 85 ? 41.253 -20.637 -8.706 1.00 62.64 ? 85 GLU B OE2 1 ATOM 3154 N N . ASP B 2 86 ? 47.002 -20.099 -8.168 1.00 51.87 ? 86 ASP B N 1 ATOM 3155 C CA . ASP B 2 86 ? 47.781 -19.380 -9.154 1.00 51.18 ? 86 ASP B CA 1 ATOM 3156 C C . ASP B 2 86 ? 48.321 -20.304 -10.231 1.00 50.78 ? 86 ASP B C 1 ATOM 3157 O O . ASP B 2 86 ? 48.297 -20.033 -11.416 1.00 50.22 ? 86 ASP B O 1 ATOM 3158 C CB . ASP B 2 86 ? 48.969 -18.794 -8.441 1.00 59.55 ? 86 ASP B CB 1 ATOM 3159 C CG . ASP B 2 86 ? 49.098 -17.342 -8.652 1.00 73.69 ? 86 ASP B CG 1 ATOM 3160 O OD1 . ASP B 2 86 ? 48.146 -16.614 -8.240 1.00 73.72 ? 86 ASP B OD1 1 ATOM 3161 O OD2 . ASP B 2 86 ? 50.166 -16.950 -9.208 1.00 82.94 ? 86 ASP B OD2 1 ATOM 3162 N N . THR B 2 87 ? 48.857 -21.409 -9.789 1.00 51.36 ? 87 THR B N 1 ATOM 3163 C CA . THR B 2 87 ? 49.350 -22.404 -10.688 1.00 54.91 ? 87 THR B CA 1 ATOM 3164 C C . THR B 2 87 ? 48.262 -22.840 -11.679 1.00 53.53 ? 87 THR B C 1 ATOM 3165 O O . THR B 2 87 ? 48.499 -22.901 -12.888 1.00 54.47 ? 87 THR B O 1 ATOM 3166 C CB . THR B 2 87 ? 49.952 -23.552 -9.856 1.00 53.18 ? 87 THR B CB 1 ATOM 3167 O OG1 . THR B 2 87 ? 51.135 -23.039 -9.223 1.00 54.48 ? 87 THR B OG1 1 ATOM 3168 C CG2 . THR B 2 87 ? 50.325 -24.739 -10.712 1.00 52.01 ? 87 THR B CG2 1 ATOM 3169 N N . LYS B 2 88 ? 47.072 -23.085 -11.158 1.00 51.50 ? 88 LYS B N 1 ATOM 3170 C CA . LYS B 2 88 ? 45.935 -23.500 -11.958 1.00 48.35 ? 88 LYS B CA 1 ATOM 3171 C C . LYS B 2 88 ? 45.494 -22.443 -12.946 1.00 51.15 ? 88 LYS B C 1 ATOM 3172 O O . LYS B 2 88 ? 45.254 -22.720 -14.123 1.00 53.56 ? 88 LYS B O 1 ATOM 3173 C CB . LYS B 2 88 ? 44.775 -23.809 -11.046 1.00 47.97 ? 88 LYS B CB 1 ATOM 3174 C CG . LYS B 2 88 ? 43.487 -24.089 -11.771 1.00 47.13 ? 88 LYS B CG 1 ATOM 3175 C CD . LYS B 2 88 ? 42.413 -24.481 -10.793 1.00 45.16 ? 88 LYS B CD 1 ATOM 3176 C CE . LYS B 2 88 ? 41.073 -24.497 -11.484 1.00 47.19 ? 88 LYS B CE 1 ATOM 3177 N NZ . LYS B 2 88 ? 40.020 -24.689 -10.463 1.00 50.77 ? 88 LYS B NZ 1 ATOM 3178 N N . ILE B 2 89 ? 45.368 -21.218 -12.479 1.00 50.74 ? 89 ILE B N 1 ATOM 3179 C CA . ILE B 2 89 ? 44.893 -20.174 -13.366 1.00 50.78 ? 89 ILE B CA 1 ATOM 3180 C C . ILE B 2 89 ? 45.884 -19.942 -14.506 1.00 49.23 ? 89 ILE B C 1 ATOM 3181 O O . ILE B 2 89 ? 45.483 -19.864 -15.646 1.00 51.64 ? 89 ILE B O 1 ATOM 3182 C CB . ILE B 2 89 ? 44.638 -18.884 -12.611 1.00 50.65 ? 89 ILE B CB 1 ATOM 3183 C CG1 . ILE B 2 89 ? 43.517 -19.100 -11.615 1.00 52.64 ? 89 ILE B CG1 1 ATOM 3184 C CG2 . ILE B 2 89 ? 44.243 -17.795 -13.574 1.00 52.72 ? 89 ILE B CG2 1 ATOM 3185 C CD1 . ILE B 2 89 ? 43.442 -18.017 -10.577 1.00 54.71 ? 89 ILE B CD1 1 ATOM 3186 N N . ASP B 2 90 ? 47.172 -19.864 -14.197 1.00 50.12 ? 90 ASP B N 1 ATOM 3187 C CA . ASP B 2 90 ? 48.199 -19.689 -15.223 1.00 50.05 ? 90 ASP B CA 1 ATOM 3188 C C . ASP B 2 90 ? 48.156 -20.781 -16.275 1.00 52.25 ? 90 ASP B C 1 ATOM 3189 O O . ASP B 2 90 ? 48.342 -20.517 -17.469 1.00 54.65 ? 90 ASP B O 1 ATOM 3190 C CB . ASP B 2 90 ? 49.604 -19.668 -14.627 1.00 50.04 ? 90 ASP B CB 1 ATOM 3191 C CG . ASP B 2 90 ? 49.934 -18.354 -13.902 1.00 56.69 ? 90 ASP B CG 1 ATOM 3192 O OD1 . ASP B 2 90 ? 49.161 -17.362 -14.047 1.00 54.69 ? 90 ASP B OD1 1 ATOM 3193 O OD2 . ASP B 2 90 ? 50.982 -18.338 -13.183 1.00 58.52 ? 90 ASP B OD2 1 ATOM 3194 N N . LEU B 2 91 ? 47.922 -22.011 -15.840 1.00 53.31 ? 91 LEU B N 1 ATOM 3195 C CA . LEU B 2 91 ? 47.951 -23.128 -16.760 1.00 48.99 ? 91 LEU B CA 1 ATOM 3196 C C . LEU B 2 91 ? 46.770 -23.040 -17.708 1.00 50.09 ? 91 LEU B C 1 ATOM 3197 O O . LEU B 2 91 ? 46.931 -23.130 -18.923 1.00 61.37 ? 91 LEU B O 1 ATOM 3198 C CB . LEU B 2 91 ? 47.968 -24.437 -16.014 1.00 45.97 ? 91 LEU B CB 1 ATOM 3199 C CG . LEU B 2 91 ? 49.363 -24.725 -15.494 1.00 49.66 ? 91 LEU B CG 1 ATOM 3200 C CD1 . LEU B 2 91 ? 49.264 -25.804 -14.430 1.00 52.25 ? 91 LEU B CD1 1 ATOM 3201 C CD2 . LEU B 2 91 ? 50.345 -25.159 -16.572 1.00 47.44 ? 91 LEU B CD2 1 ATOM 3202 N N . TRP B 2 92 ? 45.590 -22.835 -17.164 1.00 48.46 ? 92 TRP B N 1 ATOM 3203 C CA . TRP B 2 92 ? 44.437 -22.582 -18.011 1.00 49.11 ? 92 TRP B CA 1 ATOM 3204 C C . TRP B 2 92 ? 44.602 -21.359 -18.924 1.00 48.36 ? 92 TRP B C 1 ATOM 3205 O O . TRP B 2 92 ? 44.204 -21.393 -20.076 1.00 52.03 ? 92 TRP B O 1 ATOM 3206 C CB . TRP B 2 92 ? 43.154 -22.478 -17.175 1.00 45.65 ? 92 TRP B CB 1 ATOM 3207 C CG . TRP B 2 92 ? 42.651 -23.808 -16.751 1.00 44.49 ? 92 TRP B CG 1 ATOM 3208 C CD1 . TRP B 2 92 ? 42.657 -24.306 -15.502 1.00 45.39 ? 92 TRP B CD1 1 ATOM 3209 C CD2 . TRP B 2 92 ? 42.126 -24.832 -17.589 1.00 47.27 ? 92 TRP B CD2 1 ATOM 3210 N NE1 . TRP B 2 92 ? 42.145 -25.565 -15.491 1.00 46.87 ? 92 TRP B NE1 1 ATOM 3211 C CE2 . TRP B 2 92 ? 41.805 -25.917 -16.762 1.00 46.81 ? 92 TRP B CE2 1 ATOM 3212 C CE3 . TRP B 2 92 ? 41.901 -24.943 -18.966 1.00 49.48 ? 92 TRP B CE3 1 ATOM 3213 C CZ2 . TRP B 2 92 ? 41.247 -27.099 -17.251 1.00 46.99 ? 92 TRP B CZ2 1 ATOM 3214 C CZ3 . TRP B 2 92 ? 41.361 -26.116 -19.452 1.00 49.77 ? 92 TRP B CZ3 1 ATOM 3215 C CH2 . TRP B 2 92 ? 41.036 -27.182 -18.588 1.00 47.38 ? 92 TRP B CH2 1 ATOM 3216 N N . SER B 2 93 ? 45.186 -20.284 -18.433 1.00 49.26 ? 93 SER B N 1 ATOM 3217 C CA . SER B 2 93 ? 45.338 -19.109 -19.280 1.00 51.18 ? 93 SER B CA 1 ATOM 3218 C C . SER B 2 93 ? 46.195 -19.485 -20.500 1.00 49.66 ? 93 SER B C 1 ATOM 3219 O O . SER B 2 93 ? 45.860 -19.141 -21.613 1.00 49.75 ? 93 SER B O 1 ATOM 3220 C CB . SER B 2 93 ? 45.942 -17.946 -18.491 1.00 51.04 ? 93 SER B CB 1 ATOM 3221 O OG . SER B 2 93 ? 45.107 -17.569 -17.402 1.00 49.78 ? 93 SER B OG 1 ATOM 3222 N N . TYR B 2 94 ? 47.263 -20.244 -20.275 1.00 48.46 ? 94 TYR B N 1 ATOM 3223 C CA . TYR B 2 94 ? 48.111 -20.728 -21.350 1.00 49.58 ? 94 TYR B CA 1 ATOM 3224 C C . TYR B 2 94 ? 47.288 -21.541 -22.307 1.00 50.53 ? 94 TYR B C 1 ATOM 3225 O O . TYR B 2 94 ? 47.355 -21.332 -23.520 1.00 51.26 ? 94 TYR B O 1 ATOM 3226 C CB . TYR B 2 94 ? 49.275 -21.590 -20.832 1.00 50.51 ? 94 TYR B CB 1 ATOM 3227 C CG . TYR B 2 94 ? 50.050 -22.230 -21.936 1.00 51.32 ? 94 TYR B CG 1 ATOM 3228 C CD1 . TYR B 2 94 ? 51.071 -21.556 -22.579 1.00 57.27 ? 94 TYR B CD1 1 ATOM 3229 C CD2 . TYR B 2 94 ? 49.744 -23.497 -22.369 1.00 52.20 ? 94 TYR B CD2 1 ATOM 3230 C CE1 . TYR B 2 94 ? 51.783 -22.147 -23.624 1.00 57.70 ? 94 TYR B CE1 1 ATOM 3231 C CE2 . TYR B 2 94 ? 50.445 -24.092 -23.407 1.00 53.90 ? 94 TYR B CE2 1 ATOM 3232 C CZ . TYR B 2 94 ? 51.459 -23.417 -24.038 1.00 52.67 ? 94 TYR B CZ 1 ATOM 3233 O OH . TYR B 2 94 ? 52.132 -24.030 -25.067 1.00 52.76 ? 94 TYR B OH 1 ATOM 3234 N N . ASN B 2 95 ? 46.515 -22.469 -21.756 1.00 47.27 ? 95 ASN B N 1 ATOM 3235 C CA . ASN B 2 95 ? 45.696 -23.336 -22.574 1.00 46.99 ? 95 ASN B CA 1 ATOM 3236 C C . ASN B 2 95 ? 44.798 -22.554 -23.483 1.00 48.65 ? 95 ASN B C 1 ATOM 3237 O O . ASN B 2 95 ? 44.672 -22.857 -24.666 1.00 52.75 ? 95 ASN B O 1 ATOM 3238 C CB . ASN B 2 95 ? 44.847 -24.279 -21.727 1.00 47.13 ? 95 ASN B CB 1 ATOM 3239 C CG . ASN B 2 95 ? 45.658 -25.441 -21.132 1.00 51.52 ? 95 ASN B CG 1 ATOM 3240 O OD1 . ASN B 2 95 ? 46.759 -25.748 -21.570 1.00 53.26 ? 95 ASN B OD1 1 ATOM 3241 N ND2 . ASN B 2 95 ? 45.106 -26.074 -20.114 1.00 54.90 ? 95 ASN B ND2 1 ATOM 3242 N N . ALA B 2 96 ? 44.162 -21.539 -22.943 1.00 49.54 ? 96 ALA B N 1 ATOM 3243 C CA . ALA B 2 96 ? 43.144 -20.880 -23.717 1.00 51.75 ? 96 ALA B CA 1 ATOM 3244 C C . ALA B 2 96 ? 43.798 -20.055 -24.798 1.00 52.25 ? 96 ALA B C 1 ATOM 3245 O O . ALA B 2 96 ? 43.223 -19.903 -25.856 1.00 51.92 ? 96 ALA B O 1 ATOM 3246 C CB . ALA B 2 96 ? 42.255 -20.010 -22.844 1.00 52.61 ? 96 ALA B CB 1 ATOM 3247 N N . GLU B 2 97 ? 44.985 -19.526 -24.527 1.00 48.57 ? 97 GLU B N 1 ATOM 3248 C CA . GLU B 2 97 ? 45.668 -18.709 -25.497 1.00 52.66 ? 97 GLU B CA 1 ATOM 3249 C C . GLU B 2 97 ? 46.084 -19.579 -26.701 1.00 51.31 ? 97 GLU B C 1 ATOM 3250 O O . GLU B 2 97 ? 45.836 -19.240 -27.870 1.00 53.01 ? 97 GLU B O 1 ATOM 3251 C CB . GLU B 2 97 ? 46.883 -18.047 -24.849 1.00 56.61 ? 97 GLU B CB 1 ATOM 3252 C CG . GLU B 2 97 ? 47.454 -16.867 -25.625 1.00 60.15 ? 97 GLU B CG 1 ATOM 3253 C CD . GLU B 2 97 ? 46.609 -15.601 -25.502 1.00 64.09 ? 97 GLU B CD 1 ATOM 3254 O OE1 . GLU B 2 97 ? 46.444 -15.074 -24.385 1.00 67.28 ? 97 GLU B OE1 1 ATOM 3255 O OE2 . GLU B 2 97 ? 46.128 -15.102 -26.530 1.00 67.17 ? 97 GLU B OE2 1 ATOM 3256 N N . LEU B 2 98 ? 46.689 -20.716 -26.390 1.00 50.36 ? 98 LEU B N 1 ATOM 3257 C CA . LEU B 2 98 ? 47.158 -21.641 -27.388 1.00 49.24 ? 98 LEU B CA 1 ATOM 3258 C C . LEU B 2 98 ? 45.998 -22.175 -28.203 1.00 52.50 ? 98 LEU B C 1 ATOM 3259 O O . LEU B 2 98 ? 46.089 -22.270 -29.408 1.00 62.55 ? 98 LEU B O 1 ATOM 3260 C CB . LEU B 2 98 ? 47.887 -22.798 -26.729 1.00 47.65 ? 98 LEU B CB 1 ATOM 3261 C CG . LEU B 2 98 ? 48.408 -23.845 -27.704 1.00 51.30 ? 98 LEU B CG 1 ATOM 3262 C CD1 . LEU B 2 98 ? 49.309 -23.172 -28.744 1.00 56.72 ? 98 LEU B CD1 1 ATOM 3263 C CD2 . LEU B 2 98 ? 49.171 -24.977 -27.036 1.00 51.98 ? 98 LEU B CD2 1 ATOM 3264 N N . LEU B 2 99 ? 44.915 -22.546 -27.541 1.00 54.30 ? 99 LEU B N 1 ATOM 3265 C CA . LEU B 2 99 ? 43.757 -23.090 -28.219 1.00 50.83 ? 99 LEU B CA 1 ATOM 3266 C C . LEU B 2 99 ? 43.255 -22.127 -29.287 1.00 51.97 ? 99 LEU B C 1 ATOM 3267 O O . LEU B 2 99 ? 42.940 -22.501 -30.392 1.00 51.57 ? 99 LEU B O 1 ATOM 3268 C CB . LEU B 2 99 ? 42.654 -23.330 -27.212 1.00 51.27 ? 99 LEU B CB 1 ATOM 3269 C CG . LEU B 2 99 ? 41.443 -24.056 -27.789 1.00 52.64 ? 99 LEU B CG 1 ATOM 3270 C CD1 . LEU B 2 99 ? 41.801 -25.448 -28.285 1.00 54.80 ? 99 LEU B CD1 1 ATOM 3271 C CD2 . LEU B 2 99 ? 40.366 -24.139 -26.726 1.00 52.15 ? 99 LEU B CD2 1 ATOM 3272 N N . VAL B 2 100 ? 43.208 -20.861 -28.952 1.00 54.50 ? 100 VAL B N 1 ATOM 3273 C CA . VAL B 2 100 ? 42.677 -19.894 -29.863 1.00 55.66 ? 100 VAL B CA 1 ATOM 3274 C C . VAL B 2 100 ? 43.548 -19.843 -31.105 1.00 56.22 ? 100 VAL B C 1 ATOM 3275 O O . VAL B 2 100 ? 43.057 -19.926 -32.243 1.00 58.01 ? 100 VAL B O 1 ATOM 3276 C CB . VAL B 2 100 ? 42.590 -18.541 -29.161 1.00 56.11 ? 100 VAL B CB 1 ATOM 3277 C CG1 . VAL B 2 100 ? 42.603 -17.393 -30.159 1.00 62.60 ? 100 VAL B CG1 1 ATOM 3278 C CG2 . VAL B 2 100 ? 41.322 -18.531 -28.325 1.00 56.19 ? 100 VAL B CG2 1 ATOM 3279 N N . ALA B 2 101 ? 44.843 -19.712 -30.870 1.00 49.94 ? 101 ALA B N 1 ATOM 3280 C CA . ALA B 2 101 ? 45.782 -19.609 -31.949 1.00 50.20 ? 101 ALA B CA 1 ATOM 3281 C C . ALA B 2 101 ? 45.683 -20.811 -32.888 1.00 50.59 ? 101 ALA B C 1 ATOM 3282 O O . ALA B 2 101 ? 45.603 -20.647 -34.094 1.00 53.63 ? 101 ALA B O 1 ATOM 3283 C CB . ALA B 2 101 ? 47.194 -19.469 -31.400 1.00 51.30 ? 101 ALA B CB 1 ATOM 3284 N N . LEU B 2 102 ? 45.699 -22.007 -32.317 1.00 52.02 ? 102 LEU B N 1 ATOM 3285 C CA . LEU B 2 102 ? 45.599 -23.260 -33.066 1.00 52.83 ? 102 LEU B CA 1 ATOM 3286 C C . LEU B 2 102 ? 44.348 -23.318 -33.886 1.00 51.92 ? 102 LEU B C 1 ATOM 3287 O O . LEU B 2 102 ? 44.398 -23.580 -35.082 1.00 55.16 ? 102 LEU B O 1 ATOM 3288 C CB . LEU B 2 102 ? 45.549 -24.435 -32.111 1.00 56.42 ? 102 LEU B CB 1 ATOM 3289 C CG . LEU B 2 102 ? 46.790 -25.271 -31.832 1.00 66.02 ? 102 LEU B CG 1 ATOM 3290 C CD1 . LEU B 2 102 ? 48.105 -24.672 -32.302 1.00 68.33 ? 102 LEU B CD1 1 ATOM 3291 C CD2 . LEU B 2 102 ? 46.840 -25.580 -30.345 1.00 66.91 ? 102 LEU B CD2 1 ATOM 3292 N N . GLU B 2 103 ? 43.224 -23.087 -33.225 1.00 50.80 ? 103 GLU B N 1 ATOM 3293 C CA . GLU B 2 103 ? 41.950 -23.248 -33.854 1.00 52.85 ? 103 GLU B CA 1 ATOM 3294 C C . GLU B 2 103 ? 41.831 -22.255 -34.984 1.00 53.68 ? 103 GLU B C 1 ATOM 3295 O O . GLU B 2 103 ? 41.365 -22.594 -36.076 1.00 50.60 ? 103 GLU B O 1 ATOM 3296 C CB . GLU B 2 103 ? 40.810 -23.027 -32.860 1.00 57.37 ? 103 GLU B CB 1 ATOM 3297 C CG . GLU B 2 103 ? 40.580 -24.169 -31.880 1.00 61.19 ? 103 GLU B CG 1 ATOM 3298 C CD . GLU B 2 103 ? 40.051 -25.425 -32.532 1.00 66.83 ? 103 GLU B CD 1 ATOM 3299 O OE1 . GLU B 2 103 ? 39.918 -25.469 -33.767 1.00 70.57 ? 103 GLU B OE1 1 ATOM 3300 O OE2 . GLU B 2 103 ? 39.756 -26.387 -31.798 1.00 71.82 ? 103 GLU B OE2 1 ATOM 3301 N N . ASN B 2 104 ? 42.246 -21.023 -34.728 1.00 49.62 ? 104 ASN B N 1 ATOM 3302 C CA . ASN B 2 104 ? 42.112 -20.025 -35.743 1.00 49.12 ? 104 ASN B CA 1 ATOM 3303 C C . ASN B 2 104 ? 42.969 -20.374 -36.946 1.00 51.51 ? 104 ASN B C 1 ATOM 3304 O O . ASN B 2 104 ? 42.496 -20.347 -38.074 1.00 52.28 ? 104 ASN B O 1 ATOM 3305 C CB . ASN B 2 104 ? 42.435 -18.661 -35.198 1.00 49.64 ? 104 ASN B CB 1 ATOM 3306 C CG . ASN B 2 104 ? 41.353 -18.139 -34.274 1.00 52.08 ? 104 ASN B CG 1 ATOM 3307 O OD1 . ASN B 2 104 ? 40.229 -18.671 -34.223 1.00 50.38 ? 104 ASN B OD1 1 ATOM 3308 N ND2 . ASN B 2 104 ? 41.689 -17.088 -33.525 1.00 52.90 ? 104 ASN B ND2 1 ATOM 3309 N N . GLN B 2 105 ? 44.212 -20.757 -36.705 1.00 51.35 ? 105 GLN B N 1 ATOM 3310 C CA . GLN B 2 105 ? 45.069 -21.187 -37.783 1.00 53.01 ? 105 GLN B CA 1 ATOM 3311 C C . GLN B 2 105 ? 44.362 -22.249 -38.594 1.00 53.93 ? 105 GLN B C 1 ATOM 3312 O O . GLN B 2 105 ? 44.302 -22.169 -39.805 1.00 57.25 ? 105 GLN B O 1 ATOM 3313 C CB . GLN B 2 105 ? 46.366 -21.767 -37.245 1.00 55.02 ? 105 GLN B CB 1 ATOM 3314 C CG . GLN B 2 105 ? 47.417 -22.029 -38.308 1.00 55.33 ? 105 GLN B CG 1 ATOM 3315 C CD . GLN B 2 105 ? 47.837 -20.758 -39.010 1.00 58.04 ? 105 GLN B CD 1 ATOM 3316 O OE1 . GLN B 2 105 ? 48.252 -19.776 -38.384 1.00 59.23 ? 105 GLN B OE1 1 ATOM 3317 N NE2 . GLN B 2 105 ? 47.707 -20.760 -40.317 1.00 59.43 ? 105 GLN B NE2 1 ATOM 3318 N N . HIS B 2 106 ? 43.827 -23.245 -37.914 1.00 53.85 ? 106 HIS B N 1 ATOM 3319 C CA . HIS B 2 106 ? 43.072 -24.300 -38.583 1.00 55.79 ? 106 HIS B CA 1 ATOM 3320 C C . HIS B 2 106 ? 41.949 -23.711 -39.417 1.00 53.88 ? 106 HIS B C 1 ATOM 3321 O O . HIS B 2 106 ? 41.791 -24.063 -40.567 1.00 59.89 ? 106 HIS B O 1 ATOM 3322 C CB . HIS B 2 106 ? 42.509 -25.272 -37.543 1.00 53.23 ? 106 HIS B CB 1 ATOM 3323 C CG . HIS B 2 106 ? 41.816 -26.458 -38.121 1.00 56.33 ? 106 HIS B CG 1 ATOM 3324 N ND1 . HIS B 2 106 ? 40.452 -26.623 -38.053 1.00 55.92 ? 106 HIS B ND1 1 ATOM 3325 C CD2 . HIS B 2 106 ? 42.295 -27.564 -38.740 1.00 63.66 ? 106 HIS B CD2 1 ATOM 3326 C CE1 . HIS B 2 106 ? 40.111 -27.768 -38.609 1.00 59.45 ? 106 HIS B CE1 1 ATOM 3327 N NE2 . HIS B 2 106 ? 41.211 -28.359 -39.044 1.00 64.76 ? 106 HIS B NE2 1 ATOM 3328 N N . THR B 2 107 ? 41.174 -22.811 -38.833 1.00 53.34 ? 107 THR B N 1 ATOM 3329 C CA . THR B 2 107 ? 40.059 -22.207 -39.534 1.00 53.60 ? 107 THR B CA 1 ATOM 3330 C C . THR B 2 107 ? 40.485 -21.458 -40.787 1.00 55.37 ? 107 THR B C 1 ATOM 3331 O O . THR B 2 107 ? 39.843 -21.585 -41.810 1.00 55.32 ? 107 THR B O 1 ATOM 3332 C CB . THR B 2 107 ? 39.347 -21.219 -38.637 1.00 54.64 ? 107 THR B CB 1 ATOM 3333 O OG1 . THR B 2 107 ? 38.773 -21.932 -37.559 1.00 61.45 ? 107 THR B OG1 1 ATOM 3334 C CG2 . THR B 2 107 ? 38.251 -20.504 -39.361 1.00 57.84 ? 107 THR B CG2 1 ATOM 3335 N N . ILE B 2 108 ? 41.535 -20.644 -40.674 1.00 56.05 ? 108 ILE B N 1 ATOM 3336 C CA . ILE B 2 108 ? 42.038 -19.883 -41.787 1.00 55.70 ? 108 ILE B CA 1 ATOM 3337 C C . ILE B 2 108 ? 42.426 -20.839 -42.889 1.00 57.34 ? 108 ILE B C 1 ATOM 3338 O O . ILE B 2 108 ? 42.049 -20.652 -44.044 1.00 58.01 ? 108 ILE B O 1 ATOM 3339 C CB . ILE B 2 108 ? 43.248 -19.013 -41.403 1.00 58.93 ? 108 ILE B CB 1 ATOM 3340 C CG1 . ILE B 2 108 ? 42.852 -17.541 -41.331 1.00 62.69 ? 108 ILE B CG1 1 ATOM 3341 C CG2 . ILE B 2 108 ? 44.316 -19.035 -42.480 1.00 61.34 ? 108 ILE B CG2 1 ATOM 3342 C CD1 . ILE B 2 108 ? 41.840 -17.220 -40.270 1.00 64.94 ? 108 ILE B CD1 1 ATOM 3343 N N . ASP B 2 109 ? 43.169 -21.874 -42.520 1.00 59.37 ? 109 ASP B N 1 ATOM 3344 C CA . ASP B 2 109 ? 43.740 -22.791 -43.488 1.00 58.87 ? 109 ASP B CA 1 ATOM 3345 C C . ASP B 2 109 ? 42.661 -23.660 -44.143 1.00 59.00 ? 109 ASP B C 1 ATOM 3346 O O . ASP B 2 109 ? 42.765 -23.959 -45.320 1.00 62.85 ? 109 ASP B O 1 ATOM 3347 C CB . ASP B 2 109 ? 44.866 -23.632 -42.855 1.00 60.93 ? 109 ASP B CB 1 ATOM 3348 C CG . ASP B 2 109 ? 46.221 -22.829 -42.660 1.00 69.87 ? 109 ASP B CG 1 ATOM 3349 O OD1 . ASP B 2 109 ? 46.487 -21.786 -43.356 1.00 68.93 ? 109 ASP B OD1 1 ATOM 3350 O OD2 . ASP B 2 109 ? 47.049 -23.289 -41.807 1.00 72.23 ? 109 ASP B OD2 1 ATOM 3351 N N . LEU B 2 110 ? 41.598 -24.035 -43.437 1.00 58.67 ? 110 LEU B N 1 ATOM 3352 C CA . LEU B 2 110 ? 40.647 -24.974 -44.047 1.00 56.84 ? 110 LEU B CA 1 ATOM 3353 C C . LEU B 2 110 ? 39.744 -24.288 -45.032 1.00 57.41 ? 110 LEU B C 1 ATOM 3354 O O . LEU B 2 110 ? 39.224 -24.920 -45.958 1.00 62.00 ? 110 LEU B O 1 ATOM 3355 C CB . LEU B 2 110 ? 39.855 -25.788 -43.004 1.00 58.04 ? 110 LEU B CB 1 ATOM 3356 C CG . LEU B 2 110 ? 38.481 -25.541 -42.321 1.00 60.38 ? 110 LEU B CG 1 ATOM 3357 C CD1 . LEU B 2 110 ? 38.614 -25.173 -40.851 1.00 58.86 ? 110 LEU B CD1 1 ATOM 3358 C CD2 . LEU B 2 110 ? 37.546 -24.567 -43.021 1.00 63.72 ? 110 LEU B CD2 1 ATOM 3359 N N . THR B 2 111 ? 39.541 -22.997 -44.814 1.00 55.71 ? 111 THR B N 1 ATOM 3360 C CA . THR B 2 111 ? 38.686 -22.208 -45.663 1.00 57.63 ? 111 THR B CA 1 ATOM 3361 C C . THR B 2 111 ? 39.415 -21.841 -46.944 1.00 60.64 ? 111 THR B C 1 ATOM 3362 O O . THR B 2 111 ? 38.802 -21.818 -47.998 1.00 61.36 ? 111 THR B O 1 ATOM 3363 C CB . THR B 2 111 ? 38.248 -20.923 -44.963 1.00 57.71 ? 111 THR B CB 1 ATOM 3364 O OG1 . THR B 2 111 ? 39.380 -20.305 -44.340 1.00 55.89 ? 111 THR B OG1 1 ATOM 3365 C CG2 . THR B 2 111 ? 37.214 -21.223 -43.936 1.00 57.18 ? 111 THR B CG2 1 ATOM 3366 N N . ASP B 2 112 ? 40.714 -21.544 -46.837 1.00 60.35 ? 112 ASP B N 1 ATOM 3367 C CA . ASP B 2 112 ? 41.587 -21.406 -48.000 1.00 61.38 ? 112 ASP B CA 1 ATOM 3368 C C . ASP B 2 112 ? 41.490 -22.706 -48.807 1.00 60.21 ? 112 ASP B C 1 ATOM 3369 O O . ASP B 2 112 ? 41.240 -22.682 -50.009 1.00 64.06 ? 112 ASP B O 1 ATOM 3370 C CB . ASP B 2 112 ? 43.047 -21.096 -47.569 1.00 65.95 ? 112 ASP B CB 1 ATOM 3371 C CG . ASP B 2 112 ? 43.917 -20.477 -48.708 1.00 71.29 ? 112 ASP B CG 1 ATOM 3372 O OD1 . ASP B 2 112 ? 43.344 -19.966 -49.681 1.00 77.68 ? 112 ASP B OD1 1 ATOM 3373 O OD2 . ASP B 2 112 ? 45.179 -20.472 -48.633 1.00 69.70 ? 112 ASP B OD2 1 ATOM 3374 N N . ALA B 2 113 ? 41.625 -23.839 -48.136 1.00 56.66 ? 113 ALA B N 1 ATOM 3375 C CA . ALA B 2 113 ? 41.597 -25.115 -48.822 1.00 59.68 ? 113 ALA B CA 1 ATOM 3376 C C . ALA B 2 113 ? 40.296 -25.373 -49.555 1.00 61.42 ? 113 ALA B C 1 ATOM 3377 O O . ALA B 2 113 ? 40.331 -25.932 -50.658 1.00 60.51 ? 113 ALA B O 1 ATOM 3378 C CB . ALA B 2 113 ? 41.865 -26.252 -47.866 1.00 60.67 ? 113 ALA B CB 1 ATOM 3379 N N . GLU B 2 114 ? 39.158 -24.996 -48.968 1.00 58.97 ? 114 GLU B N 1 ATOM 3380 C CA . GLU B 2 114 ? 37.879 -25.232 -49.653 1.00 60.43 ? 114 GLU B CA 1 ATOM 3381 C C . GLU B 2 114 ? 37.816 -24.443 -50.935 1.00 61.09 ? 114 GLU B C 1 ATOM 3382 O O . GLU B 2 114 ? 37.318 -24.935 -51.939 1.00 59.65 ? 114 GLU B O 1 ATOM 3383 C CB . GLU B 2 114 ? 36.659 -24.889 -48.802 1.00 62.64 ? 114 GLU B CB 1 ATOM 3384 C CG . GLU B 2 114 ? 36.359 -25.918 -47.725 1.00 71.30 ? 114 GLU B CG 1 ATOM 3385 C CD . GLU B 2 114 ? 36.195 -27.344 -48.236 1.00 71.76 ? 114 GLU B CD 1 ATOM 3386 O OE1 . GLU B 2 114 ? 35.428 -27.568 -49.208 1.00 72.24 ? 114 GLU B OE1 1 ATOM 3387 O OE2 . GLU B 2 114 ? 36.832 -28.240 -47.631 1.00 71.41 ? 114 GLU B OE2 1 ATOM 3388 N N . MET B 2 115 ? 38.317 -23.215 -50.894 1.00 61.45 ? 115 MET B N 1 ATOM 3389 C CA . MET B 2 115 ? 38.337 -22.379 -52.075 1.00 63.84 ? 115 MET B CA 1 ATOM 3390 C C . MET B 2 115 ? 39.172 -23.020 -53.167 1.00 64.73 ? 115 MET B C 1 ATOM 3391 O O . MET B 2 115 ? 38.717 -23.214 -54.297 1.00 68.22 ? 115 MET B O 1 ATOM 3392 C CB . MET B 2 115 ? 38.915 -21.013 -51.758 1.00 62.63 ? 115 MET B CB 1 ATOM 3393 C CG . MET B 2 115 ? 38.983 -20.141 -52.975 1.00 65.84 ? 115 MET B CG 1 ATOM 3394 S SD . MET B 2 115 ? 37.367 -19.863 -53.743 1.00 69.80 ? 115 MET B SD 1 ATOM 3395 C CE . MET B 2 115 ? 37.158 -18.323 -52.935 1.00 71.31 ? 115 MET B CE 1 ATOM 3396 N N . ASN B 2 116 ? 40.405 -23.340 -52.811 1.00 65.05 ? 116 ASN B N 1 ATOM 3397 C CA . ASN B 2 116 ? 41.304 -24.025 -53.717 1.00 63.58 ? 116 ASN B CA 1 ATOM 3398 C C . ASN B 2 116 ? 40.720 -25.323 -54.247 1.00 61.50 ? 116 ASN B C 1 ATOM 3399 O O . ASN B 2 116 ? 40.760 -25.573 -55.436 1.00 63.90 ? 116 ASN B O 1 ATOM 3400 C CB . ASN B 2 116 ? 42.592 -24.318 -53.001 1.00 63.92 ? 116 ASN B CB 1 ATOM 3401 C CG . ASN B 2 116 ? 43.677 -24.745 -53.930 1.00 63.25 ? 116 ASN B CG 1 ATOM 3402 O OD1 . ASN B 2 116 ? 44.151 -25.861 -53.856 1.00 63.98 ? 116 ASN B OD1 1 ATOM 3403 N ND2 . ASN B 2 116 ? 44.089 -23.852 -54.796 1.00 66.50 ? 116 ASN B ND2 1 ATOM 3404 N N . LYS B 2 117 ? 40.160 -26.139 -53.368 1.00 59.88 ? 117 LYS B N 1 ATOM 3405 C CA . LYS B 2 117 ? 39.542 -27.395 -53.800 1.00 62.10 ? 117 LYS B CA 1 ATOM 3406 C C . LYS B 2 117 ? 38.509 -27.188 -54.911 1.00 63.23 ? 117 LYS B C 1 ATOM 3407 O O . LYS B 2 117 ? 38.436 -27.999 -55.850 1.00 60.83 ? 117 LYS B O 1 ATOM 3408 C CB . LYS B 2 117 ? 38.900 -28.145 -52.617 1.00 62.44 ? 117 LYS B CB 1 ATOM 3409 C CG . LYS B 2 117 ? 39.867 -29.091 -51.909 1.00 66.28 ? 117 LYS B CG 1 ATOM 3410 C CD . LYS B 2 117 ? 39.583 -29.232 -50.425 1.00 73.21 ? 117 LYS B CD 1 ATOM 3411 C CE . LYS B 2 117 ? 38.252 -29.919 -50.157 1.00 76.34 ? 117 LYS B CE 1 ATOM 3412 N NZ . LYS B 2 117 ? 38.425 -30.858 -49.029 1.00 74.88 ? 117 LYS B NZ 1 ATOM 3413 N N . LEU B 2 118 ? 37.724 -26.115 -54.793 1.00 58.60 ? 118 LEU B N 1 ATOM 3414 C CA . LEU B 2 118 ? 36.618 -25.862 -55.709 1.00 62.97 ? 118 LEU B CA 1 ATOM 3415 C C . LEU B 2 118 ? 37.149 -25.361 -57.058 1.00 63.68 ? 118 LEU B C 1 ATOM 3416 O O . LEU B 2 118 ? 36.606 -25.695 -58.110 1.00 64.30 ? 118 LEU B O 1 ATOM 3417 C CB . LEU B 2 118 ? 35.650 -24.843 -55.115 1.00 63.72 ? 118 LEU B CB 1 ATOM 3418 C CG . LEU B 2 118 ? 34.466 -24.442 -56.001 1.00 69.69 ? 118 LEU B CG 1 ATOM 3419 C CD1 . LEU B 2 118 ? 33.457 -25.587 -56.076 1.00 73.20 ? 118 LEU B CD1 1 ATOM 3420 C CD2 . LEU B 2 118 ? 33.800 -23.158 -55.509 1.00 67.44 ? 118 LEU B CD2 1 ATOM 3421 N N . PHE B 2 119 ? 38.206 -24.560 -57.013 1.00 59.98 ? 119 PHE B N 1 ATOM 3422 C CA . PHE B 2 119 ? 38.881 -24.121 -58.216 1.00 62.70 ? 119 PHE B CA 1 ATOM 3423 C C . PHE B 2 119 ? 39.438 -25.308 -58.972 1.00 63.31 ? 119 PHE B C 1 ATOM 3424 O O . PHE B 2 119 ? 39.219 -25.466 -60.161 1.00 65.67 ? 119 PHE B O 1 ATOM 3425 C CB . PHE B 2 119 ? 40.013 -23.177 -57.851 1.00 62.70 ? 119 PHE B CB 1 ATOM 3426 C CG . PHE B 2 119 ? 40.820 -22.740 -59.024 1.00 65.05 ? 119 PHE B CG 1 ATOM 3427 C CD1 . PHE B 2 119 ? 40.435 -21.642 -59.780 1.00 66.90 ? 119 PHE B CD1 1 ATOM 3428 C CD2 . PHE B 2 119 ? 41.955 -23.436 -59.392 1.00 68.00 ? 119 PHE B CD2 1 ATOM 3429 C CE1 . PHE B 2 119 ? 41.185 -21.237 -60.875 1.00 68.05 ? 119 PHE B CE1 1 ATOM 3430 C CE2 . PHE B 2 119 ? 42.709 -23.035 -60.485 1.00 68.22 ? 119 PHE B CE2 1 ATOM 3431 C CZ . PHE B 2 119 ? 42.322 -21.934 -61.225 1.00 67.24 ? 119 PHE B CZ 1 ATOM 3432 N N . GLU B 2 120 ? 40.152 -26.146 -58.248 1.00 65.87 ? 120 GLU B N 1 ATOM 3433 C CA . GLU B 2 120 ? 40.768 -27.328 -58.809 1.00 68.87 ? 120 GLU B CA 1 ATOM 3434 C C . GLU B 2 120 ? 39.717 -28.238 -59.466 1.00 68.65 ? 120 GLU B C 1 ATOM 3435 O O . GLU B 2 120 ? 39.916 -28.735 -60.552 1.00 69.64 ? 120 GLU B O 1 ATOM 3436 C CB . GLU B 2 120 ? 41.541 -28.064 -57.696 1.00 70.37 ? 120 GLU B CB 1 ATOM 3437 C CG . GLU B 2 120 ? 43.022 -28.335 -57.966 1.00 75.92 ? 120 GLU B CG 1 ATOM 3438 C CD . GLU B 2 120 ? 43.748 -27.153 -58.575 1.00 77.66 ? 120 GLU B CD 1 ATOM 3439 O OE1 . GLU B 2 120 ? 43.458 -26.008 -58.179 1.00 84.76 ? 120 GLU B OE1 1 ATOM 3440 O OE2 . GLU B 2 120 ? 44.600 -27.368 -59.459 1.00 76.56 ? 120 GLU B OE2 1 ATOM 3441 N N . LYS B 2 121 ? 38.585 -28.410 -58.801 1.00 71.14 ? 121 LYS B N 1 ATOM 3442 C CA . LYS B 2 121 ? 37.554 -29.366 -59.201 1.00 70.00 ? 121 LYS B CA 1 ATOM 3443 C C . LYS B 2 121 ? 36.945 -28.876 -60.503 1.00 69.93 ? 121 LYS B C 1 ATOM 3444 O O . LYS B 2 121 ? 36.639 -29.660 -61.429 1.00 67.34 ? 121 LYS B O 1 ATOM 3445 C CB . LYS B 2 121 ? 36.509 -29.428 -58.073 1.00 69.44 ? 121 LYS B CB 1 ATOM 3446 C CG . LYS B 2 121 ? 35.270 -30.291 -58.257 1.00 71.87 ? 121 LYS B CG 1 ATOM 3447 C CD . LYS B 2 121 ? 34.236 -29.924 -57.187 1.00 75.86 ? 121 LYS B CD 1 ATOM 3448 C CE . LYS B 2 121 ? 33.084 -30.919 -57.073 1.00 83.31 ? 121 LYS B CE 1 ATOM 3449 N NZ . LYS B 2 121 ? 32.423 -31.155 -58.394 1.00 88.56 ? 121 LYS B NZ 1 ATOM 3450 N N . THR B 2 122 ? 36.786 -27.561 -60.556 1.00 65.81 ? 122 THR B N 1 ATOM 3451 C CA . THR B 2 122 ? 36.309 -26.900 -61.740 1.00 68.74 ? 122 THR B CA 1 ATOM 3452 C C . THR B 2 122 ? 37.308 -27.039 -62.901 1.00 72.22 ? 122 THR B C 1 ATOM 3453 O O . THR B 2 122 ? 36.933 -27.461 -63.993 1.00 77.53 ? 122 THR B O 1 ATOM 3454 C CB . THR B 2 122 ? 36.060 -25.423 -61.451 1.00 63.97 ? 122 THR B CB 1 ATOM 3455 O OG1 . THR B 2 122 ? 35.126 -25.322 -60.386 1.00 63.83 ? 122 THR B OG1 1 ATOM 3456 C CG2 . THR B 2 122 ? 35.480 -24.745 -62.652 1.00 65.10 ? 122 THR B CG2 1 ATOM 3457 N N . ARG B 2 123 ? 38.572 -26.698 -62.665 1.00 69.00 ? 123 ARG B N 1 ATOM 3458 C CA . ARG B 2 123 ? 39.582 -26.822 -63.700 1.00 68.39 ? 123 ARG B CA 1 ATOM 3459 C C . ARG B 2 123 ? 39.590 -28.231 -64.283 1.00 69.15 ? 123 ARG B C 1 ATOM 3460 O O . ARG B 2 123 ? 39.617 -28.408 -65.500 1.00 72.96 ? 123 ARG B O 1 ATOM 3461 C CB . ARG B 2 123 ? 40.974 -26.434 -63.172 1.00 69.48 ? 123 ARG B CB 1 ATOM 3462 C CG . ARG B 2 123 ? 42.089 -27.360 -63.597 1.00 71.03 ? 123 ARG B CG 1 ATOM 3463 C CD . ARG B 2 123 ? 43.443 -26.888 -63.123 1.00 74.70 ? 123 ARG B CD 1 ATOM 3464 N NE . ARG B 2 123 ? 44.384 -27.990 -63.299 1.00 81.83 ? 123 ARG B NE 1 ATOM 3465 C CZ . ARG B 2 123 ? 44.550 -29.018 -62.468 1.00 88.01 ? 123 ARG B CZ 1 ATOM 3466 N NH1 . ARG B 2 123 ? 43.874 -29.095 -61.325 1.00 88.63 ? 123 ARG B NH1 1 ATOM 3467 N NH2 . ARG B 2 123 ? 45.421 -29.980 -62.783 1.00 95.61 ? 123 ARG B NH2 1 ATOM 3468 N N . ARG B 2 124 ? 39.552 -29.222 -63.407 1.00 67.49 ? 124 ARG B N 1 ATOM 3469 C CA . ARG B 2 124 ? 39.647 -30.621 -63.807 1.00 69.71 ? 124 ARG B CA 1 ATOM 3470 C C . ARG B 2 124 ? 38.555 -31.065 -64.758 1.00 71.06 ? 124 ARG B C 1 ATOM 3471 O O . ARG B 2 124 ? 38.793 -31.892 -65.630 1.00 71.43 ? 124 ARG B O 1 ATOM 3472 C CB . ARG B 2 124 ? 39.620 -31.525 -62.577 1.00 70.07 ? 124 ARG B CB 1 ATOM 3473 C CG . ARG B 2 124 ? 40.930 -31.507 -61.812 1.00 70.56 ? 124 ARG B CG 1 ATOM 3474 C CD . ARG B 2 124 ? 41.141 -32.786 -61.054 1.00 71.89 ? 124 ARG B CD 1 ATOM 3475 N NE . ARG B 2 124 ? 42.536 -32.913 -60.679 1.00 75.05 ? 124 ARG B NE 1 ATOM 3476 C CZ . ARG B 2 124 ? 43.057 -32.483 -59.536 1.00 72.37 ? 124 ARG B CZ 1 ATOM 3477 N NH1 . ARG B 2 124 ? 42.302 -31.884 -58.595 1.00 69.74 ? 124 ARG B NH1 1 ATOM 3478 N NH2 . ARG B 2 124 ? 44.349 -32.676 -59.339 1.00 71.93 ? 124 ARG B NH2 1 ATOM 3479 N N . GLN B 2 125 ? 37.361 -30.527 -64.567 1.00 69.64 ? 125 GLN B N 1 ATOM 3480 C CA . GLN B 2 125 ? 36.247 -30.828 -65.438 1.00 72.29 ? 125 GLN B CA 1 ATOM 3481 C C . GLN B 2 125 ? 36.434 -30.326 -66.863 1.00 74.09 ? 125 GLN B C 1 ATOM 3482 O O . GLN B 2 125 ? 36.140 -31.035 -67.834 1.00 69.98 ? 125 GLN B O 1 ATOM 3483 C CB . GLN B 2 125 ? 35.005 -30.161 -64.906 1.00 71.79 ? 125 GLN B CB 1 ATOM 3484 C CG . GLN B 2 125 ? 34.263 -30.960 -63.880 1.00 72.77 ? 125 GLN B CG 1 ATOM 3485 C CD . GLN B 2 125 ? 32.920 -30.332 -63.641 1.00 76.85 ? 125 GLN B CD 1 ATOM 3486 O OE1 . GLN B 2 125 ? 32.799 -29.370 -62.855 1.00 71.69 ? 125 GLN B OE1 1 ATOM 3487 N NE2 . GLN B 2 125 ? 31.899 -30.827 -64.363 1.00 77.14 ? 125 GLN B NE2 1 ATOM 3488 N N . LEU B 2 126 ? 36.851 -29.064 -66.928 1.00 74.77 ? 126 LEU B N 1 ATOM 3489 C CA . LEU B 2 126 ? 37.061 -28.304 -68.150 1.00 72.67 ? 126 LEU B CA 1 ATOM 3490 C C . LEU B 2 126 ? 38.131 -28.908 -69.032 1.00 72.48 ? 126 LEU B C 1 ATOM 3491 O O . LEU B 2 126 ? 38.040 -28.883 -70.243 1.00 72.19 ? 126 LEU B O 1 ATOM 3492 C CB . LEU B 2 126 ? 37.506 -26.886 -67.767 1.00 71.64 ? 126 LEU B CB 1 ATOM 3493 C CG . LEU B 2 126 ? 36.500 -25.734 -67.694 1.00 72.28 ? 126 LEU B CG 1 ATOM 3494 C CD1 . LEU B 2 126 ? 35.050 -26.180 -67.635 1.00 74.27 ? 126 LEU B CD1 1 ATOM 3495 C CD2 . LEU B 2 126 ? 36.833 -24.823 -66.520 1.00 71.60 ? 126 LEU B CD2 1 ATOM 3496 N N . ARG B 2 127 ? 39.180 -29.401 -68.405 1.00 74.19 ? 127 ARG B N 1 ATOM 3497 C CA . ARG B 2 127 ? 40.242 -30.086 -69.106 1.00 76.54 ? 127 ARG B CA 1 ATOM 3498 C C . ARG B 2 127 ? 40.868 -29.168 -70.155 1.00 75.91 ? 127 ARG B C 1 ATOM 3499 O O . ARG B 2 127 ? 40.921 -27.957 -69.950 1.00 71.46 ? 127 ARG B O 1 ATOM 3500 C CB . ARG B 2 127 ? 39.715 -31.421 -69.651 1.00 78.32 ? 127 ARG B CB 1 ATOM 3501 C CG . ARG B 2 127 ? 40.656 -32.566 -69.301 1.00 81.97 ? 127 ARG B CG 1 ATOM 3502 C CD . ARG B 2 127 ? 39.913 -33.836 -68.964 1.00 83.14 ? 127 ARG B CD 1 ATOM 3503 N NE . ARG B 2 127 ? 40.114 -34.858 -69.984 1.00 89.48 ? 127 ARG B NE 1 ATOM 3504 C CZ . ARG B 2 127 ? 39.536 -36.054 -69.947 1.00 96.76 ? 127 ARG B CZ 1 ATOM 3505 N NH1 . ARG B 2 127 ? 38.703 -36.375 -68.946 1.00 97.99 ? 127 ARG B NH1 1 ATOM 3506 N NH2 . ARG B 2 127 ? 39.776 -36.927 -70.921 1.00 100.40 ? 127 ARG B NH2 1 ATOM 3507 N N . GLU B 2 128 ? 41.333 -29.710 -71.272 1.00 82.65 ? 128 GLU B N 1 ATOM 3508 C CA . GLU B 2 128 ? 41.971 -28.865 -72.291 1.00 84.10 ? 128 GLU B CA 1 ATOM 3509 C C . GLU B 2 128 ? 41.061 -27.761 -72.944 1.00 76.88 ? 128 GLU B C 1 ATOM 3510 O O . GLU B 2 128 ? 41.576 -26.839 -73.557 1.00 73.46 ? 128 GLU B O 1 ATOM 3511 C CB . GLU B 2 128 ? 42.723 -29.731 -73.314 1.00 89.77 ? 128 GLU B CB 1 ATOM 3512 C CG . GLU B 2 128 ? 41.889 -30.313 -74.464 1.00 108.17 ? 128 GLU B CG 1 ATOM 3513 C CD . GLU B 2 128 ? 41.067 -31.556 -74.104 1.00 113.81 ? 128 GLU B CD 1 ATOM 3514 O OE1 . GLU B 2 128 ? 40.223 -31.482 -73.171 1.00 113.31 ? 128 GLU B OE1 1 ATOM 3515 O OE2 . GLU B 2 128 ? 41.254 -32.601 -74.783 1.00 111.94 ? 128 GLU B OE2 1 ATOM 3516 N N . ASN B 2 129 ? 39.740 -27.805 -72.759 1.00 74.29 ? 129 ASN B N 1 ATOM 3517 C CA . ASN B 2 129 ? 38.822 -26.747 -73.278 1.00 71.92 ? 129 ASN B CA 1 ATOM 3518 C C . ASN B 2 129 ? 38.846 -25.373 -72.590 1.00 71.42 ? 129 ASN B C 1 ATOM 3519 O O . ASN B 2 129 ? 37.963 -24.546 -72.822 1.00 66.32 ? 129 ASN B O 1 ATOM 3520 C CB . ASN B 2 129 ? 37.368 -27.216 -73.165 1.00 72.43 ? 129 ASN B CB 1 ATOM 3521 C CG . ASN B 2 129 ? 37.107 -28.503 -73.898 1.00 77.54 ? 129 ASN B CG 1 ATOM 3522 O OD1 . ASN B 2 129 ? 37.938 -28.971 -74.675 1.00 85.30 ? 129 ASN B OD1 1 ATOM 3523 N ND2 . ASN B 2 129 ? 35.939 -29.087 -73.657 1.00 80.55 ? 129 ASN B ND2 1 ATOM 3524 N N . ALA B 2 130 ? 39.794 -25.127 -71.695 1.00 75.96 ? 130 ALA B N 1 ATOM 3525 C CA . ALA B 2 130 ? 39.815 -23.854 -70.985 1.00 73.77 ? 130 ALA B CA 1 ATOM 3526 C C . ALA B 2 130 ? 41.193 -23.503 -70.474 1.00 74.60 ? 130 ALA B C 1 ATOM 3527 O O . ALA B 2 130 ? 42.104 -24.316 -70.476 1.00 71.23 ? 130 ALA B O 1 ATOM 3528 C CB . ALA B 2 130 ? 38.837 -23.896 -69.827 1.00 76.74 ? 130 ALA B CB 1 ATOM 3529 N N . GLU B 2 131 ? 41.315 -22.278 -69.996 1.00 79.96 ? 131 GLU B N 1 ATOM 3530 C CA . GLU B 2 131 ? 42.582 -21.721 -69.601 1.00 83.88 ? 131 GLU B CA 1 ATOM 3531 C C . GLU B 2 131 ? 42.456 -21.086 -68.218 1.00 83.86 ? 131 GLU B C 1 ATOM 3532 O O . GLU B 2 131 ? 41.474 -20.406 -67.942 1.00 85.49 ? 131 GLU B O 1 ATOM 3533 C CB . GLU B 2 131 ? 42.922 -20.651 -70.608 1.00 92.57 ? 131 GLU B CB 1 ATOM 3534 C CG . GLU B 2 131 ? 44.371 -20.246 -70.623 1.00 101.55 ? 131 GLU B CG 1 ATOM 3535 C CD . GLU B 2 131 ? 45.050 -20.706 -71.865 1.00 99.80 ? 131 GLU B CD 1 ATOM 3536 O OE1 . GLU B 2 131 ? 44.346 -20.795 -72.882 1.00 103.48 ? 131 GLU B OE1 1 ATOM 3537 O OE2 . GLU B 2 131 ? 46.268 -20.974 -71.815 1.00 110.95 ? 131 GLU B OE2 1 ATOM 3538 N N . ASP B 2 132 ? 43.439 -21.311 -67.349 1.00 84.13 ? 132 ASP B N 1 ATOM 3539 C CA . ASP B 2 132 ? 43.505 -20.650 -66.031 1.00 78.63 ? 132 ASP B CA 1 ATOM 3540 C C . ASP B 2 132 ? 44.103 -19.252 -66.258 1.00 76.15 ? 132 ASP B C 1 ATOM 3541 O O . ASP B 2 132 ? 45.281 -19.113 -66.590 1.00 80.10 ? 132 ASP B O 1 ATOM 3542 C CB . ASP B 2 132 ? 44.378 -21.509 -65.094 1.00 78.82 ? 132 ASP B CB 1 ATOM 3543 C CG . ASP B 2 132 ? 44.596 -20.916 -63.680 1.00 76.90 ? 132 ASP B CG 1 ATOM 3544 O OD1 . ASP B 2 132 ? 44.021 -19.874 -63.266 1.00 76.14 ? 132 ASP B OD1 1 ATOM 3545 O OD2 . ASP B 2 132 ? 45.384 -21.566 -62.954 1.00 76.51 ? 132 ASP B OD2 1 ATOM 3546 N N . MET B 2 133 ? 43.291 -18.220 -66.088 1.00 71.68 ? 133 MET B N 1 ATOM 3547 C CA . MET B 2 133 ? 43.757 -16.858 -66.319 1.00 74.34 ? 133 MET B CA 1 ATOM 3548 C C . MET B 2 133 ? 44.654 -16.306 -65.222 1.00 72.74 ? 133 MET B C 1 ATOM 3549 O O . MET B 2 133 ? 45.267 -15.266 -65.399 1.00 69.74 ? 133 MET B O 1 ATOM 3550 C CB . MET B 2 133 ? 42.578 -15.937 -66.480 1.00 79.11 ? 133 MET B CB 1 ATOM 3551 C CG . MET B 2 133 ? 41.597 -16.436 -67.507 1.00 84.43 ? 133 MET B CG 1 ATOM 3552 S SD . MET B 2 133 ? 40.809 -15.031 -68.276 1.00 98.80 ? 133 MET B SD 1 ATOM 3553 C CE . MET B 2 133 ? 39.094 -15.489 -68.062 1.00 100.19 ? 133 MET B CE 1 ATOM 3554 N N . GLY B 2 134 ? 44.701 -16.977 -64.079 1.00 73.74 ? 134 GLY B N 1 ATOM 3555 C CA . GLY B 2 134 ? 45.704 -16.678 -63.064 1.00 76.06 ? 134 GLY B CA 1 ATOM 3556 C C . GLY B 2 134 ? 45.189 -15.896 -61.883 1.00 75.63 ? 134 GLY B C 1 ATOM 3557 O O . GLY B 2 134 ? 45.924 -15.687 -60.903 1.00 72.26 ? 134 GLY B O 1 ATOM 3558 N N . ASP B 2 135 ? 43.926 -15.478 -61.989 1.00 78.55 ? 135 ASP B N 1 ATOM 3559 C CA . ASP B 2 135 ? 43.254 -14.616 -61.009 1.00 81.25 ? 135 ASP B CA 1 ATOM 3560 C C . ASP B 2 135 ? 41.978 -15.292 -60.501 1.00 75.59 ? 135 ASP B C 1 ATOM 3561 O O . ASP B 2 135 ? 41.013 -14.630 -60.114 1.00 69.22 ? 135 ASP B O 1 ATOM 3562 C CB . ASP B 2 135 ? 42.917 -13.257 -61.641 1.00 85.15 ? 135 ASP B CB 1 ATOM 3563 C CG . ASP B 2 135 ? 41.960 -13.369 -62.835 1.00 92.26 ? 135 ASP B CG 1 ATOM 3564 O OD1 . ASP B 2 135 ? 41.896 -14.430 -63.502 1.00 92.84 ? 135 ASP B OD1 1 ATOM 3565 O OD2 . ASP B 2 135 ? 41.275 -12.367 -63.116 1.00 99.11 ? 135 ASP B OD2 1 ATOM 3566 N N . GLY B 2 136 ? 41.976 -16.620 -60.530 1.00 73.07 ? 136 GLY B N 1 ATOM 3567 C CA . GLY B 2 136 ? 40.791 -17.365 -60.185 1.00 72.44 ? 136 GLY B CA 1 ATOM 3568 C C . GLY B 2 136 ? 39.728 -17.477 -61.266 1.00 74.60 ? 136 GLY B C 1 ATOM 3569 O O . GLY B 2 136 ? 38.667 -18.026 -60.990 1.00 74.78 ? 136 GLY B O 1 ATOM 3570 N N . CYS B 2 137 ? 39.989 -16.991 -62.486 1.00 76.17 ? 137 CYS B N 1 ATOM 3571 C CA . CYS B 2 137 ? 39.032 -17.146 -63.585 1.00 75.45 ? 137 CYS B CA 1 ATOM 3572 C C . CYS B 2 137 ? 39.498 -18.117 -64.647 1.00 71.41 ? 137 CYS B C 1 ATOM 3573 O O . CYS B 2 137 ? 40.687 -18.359 -64.822 1.00 70.84 ? 137 CYS B O 1 ATOM 3574 C CB . CYS B 2 137 ? 38.702 -15.807 -64.233 1.00 83.03 ? 137 CYS B CB 1 ATOM 3575 S SG . CYS B 2 137 ? 37.995 -14.602 -63.078 1.00 99.84 ? 137 CYS B SG 1 ATOM 3576 N N . PHE B 2 138 ? 38.526 -18.673 -65.352 1.00 71.08 ? 138 PHE B N 1 ATOM 3577 C CA . PHE B 2 138 ? 38.772 -19.581 -66.453 1.00 70.97 ? 138 PHE B CA 1 ATOM 3578 C C . PHE B 2 138 ? 38.274 -18.954 -67.733 1.00 75.99 ? 138 PHE B C 1 ATOM 3579 O O . PHE B 2 138 ? 37.170 -18.424 -67.758 1.00 75.35 ? 138 PHE B O 1 ATOM 3580 C CB . PHE B 2 138 ? 38.005 -20.868 -66.250 1.00 69.71 ? 138 PHE B CB 1 ATOM 3581 C CG . PHE B 2 138 ? 38.538 -21.724 -65.141 1.00 71.30 ? 138 PHE B CG 1 ATOM 3582 C CD1 . PHE B 2 138 ? 39.716 -22.437 -65.311 1.00 71.59 ? 138 PHE B CD1 1 ATOM 3583 C CD2 . PHE B 2 138 ? 37.852 -21.844 -63.946 1.00 68.07 ? 138 PHE B CD2 1 ATOM 3584 C CE1 . PHE B 2 138 ? 40.202 -23.240 -64.313 1.00 69.11 ? 138 PHE B CE1 1 ATOM 3585 C CE2 . PHE B 2 138 ? 38.338 -22.649 -62.940 1.00 67.27 ? 138 PHE B CE2 1 ATOM 3586 C CZ . PHE B 2 138 ? 39.517 -23.347 -63.121 1.00 68.48 ? 138 PHE B CZ 1 ATOM 3587 N N . LYS B 2 139 ? 39.089 -19.009 -68.790 1.00 83.61 ? 139 LYS B N 1 ATOM 3588 C CA . LYS B 2 139 ? 38.658 -18.651 -70.145 1.00 80.42 ? 139 LYS B CA 1 ATOM 3589 C C . LYS B 2 139 ? 38.255 -19.930 -70.852 1.00 77.87 ? 139 LYS B C 1 ATOM 3590 O O . LYS B 2 139 ? 39.060 -20.853 -70.998 1.00 76.39 ? 139 LYS B O 1 ATOM 3591 C CB . LYS B 2 139 ? 39.784 -17.962 -70.897 1.00 86.27 ? 139 LYS B CB 1 ATOM 3592 C CG . LYS B 2 139 ? 39.351 -17.283 -72.182 1.00 91.02 ? 139 LYS B CG 1 ATOM 3593 C CD . LYS B 2 139 ? 40.513 -16.515 -72.792 1.00 97.89 ? 139 LYS B CD 1 ATOM 3594 C CE . LYS B 2 139 ? 40.350 -16.342 -74.295 1.00 103.33 ? 139 LYS B CE 1 ATOM 3595 N NZ . LYS B 2 139 ? 41.589 -15.791 -74.912 1.00 106.86 ? 139 LYS B NZ 1 ATOM 3596 N N . ILE B 2 140 ? 36.994 -19.991 -71.262 1.00 78.84 ? 140 ILE B N 1 ATOM 3597 C CA . ILE B 2 140 ? 36.422 -21.181 -71.888 1.00 78.39 ? 140 ILE B CA 1 ATOM 3598 C C . ILE B 2 140 ? 36.289 -20.915 -73.384 1.00 80.48 ? 140 ILE B C 1 ATOM 3599 O O . ILE B 2 140 ? 35.645 -19.942 -73.807 1.00 78.52 ? 140 ILE B O 1 ATOM 3600 C CB . ILE B 2 140 ? 35.043 -21.509 -71.271 1.00 79.10 ? 140 ILE B CB 1 ATOM 3601 C CG1 . ILE B 2 140 ? 35.193 -21.719 -69.759 1.00 82.22 ? 140 ILE B CG1 1 ATOM 3602 C CG2 . ILE B 2 140 ? 34.428 -22.738 -71.934 1.00 80.02 ? 140 ILE B CG2 1 ATOM 3603 C CD1 . ILE B 2 140 ? 33.895 -21.963 -69.025 1.00 84.18 ? 140 ILE B CD1 1 ATOM 3604 N N . TYR B 2 141 ? 36.882 -21.785 -74.192 1.00 82.15 ? 141 TYR B N 1 ATOM 3605 C CA . TYR B 2 141 ? 36.931 -21.563 -75.638 1.00 83.30 ? 141 TYR B CA 1 ATOM 3606 C C . TYR B 2 141 ? 35.673 -22.034 -76.385 1.00 83.67 ? 141 TYR B C 1 ATOM 3607 O O . TYR B 2 141 ? 35.786 -22.682 -77.409 1.00 87.48 ? 141 TYR B O 1 ATOM 3608 C CB . TYR B 2 141 ? 38.193 -22.220 -76.216 1.00 83.38 ? 141 TYR B CB 1 ATOM 3609 C CG . TYR B 2 141 ? 39.481 -21.526 -75.813 1.00 84.61 ? 141 TYR B CG 1 ATOM 3610 C CD1 . TYR B 2 141 ? 39.942 -20.430 -76.525 1.00 86.32 ? 141 TYR B CD1 1 ATOM 3611 C CD2 . TYR B 2 141 ? 40.239 -21.962 -74.727 1.00 85.16 ? 141 TYR B CD2 1 ATOM 3612 C CE1 . TYR B 2 141 ? 41.114 -19.784 -76.182 1.00 85.93 ? 141 TYR B CE1 1 ATOM 3613 C CE2 . TYR B 2 141 ? 41.419 -21.314 -74.372 1.00 86.98 ? 141 TYR B CE2 1 ATOM 3614 C CZ . TYR B 2 141 ? 41.846 -20.221 -75.114 1.00 87.79 ? 141 TYR B CZ 1 ATOM 3615 O OH . TYR B 2 141 ? 43.001 -19.545 -74.817 1.00 87.76 ? 141 TYR B OH 1 ATOM 3616 N N . HIS B 2 142 ? 34.479 -21.710 -75.888 1.00 84.68 ? 142 HIS B N 1 ATOM 3617 C CA . HIS B 2 142 ? 33.257 -21.976 -76.648 1.00 84.71 ? 142 HIS B CA 1 ATOM 3618 C C . HIS B 2 142 ? 32.006 -21.296 -76.125 1.00 86.59 ? 142 HIS B C 1 ATOM 3619 O O . HIS B 2 142 ? 31.967 -20.824 -74.997 1.00 88.23 ? 142 HIS B O 1 ATOM 3620 C CB . HIS B 2 142 ? 32.990 -23.476 -76.736 1.00 86.43 ? 142 HIS B CB 1 ATOM 3621 C CG . HIS B 2 142 ? 32.943 -24.183 -75.416 1.00 85.97 ? 142 HIS B CG 1 ATOM 3622 N ND1 . HIS B 2 142 ? 31.821 -24.196 -74.618 1.00 87.85 ? 142 HIS B ND1 1 ATOM 3623 C CD2 . HIS B 2 142 ? 33.852 -24.969 -74.795 1.00 84.04 ? 142 HIS B CD2 1 ATOM 3624 C CE1 . HIS B 2 142 ? 32.054 -24.929 -73.545 1.00 82.92 ? 142 HIS B CE1 1 ATOM 3625 N NE2 . HIS B 2 142 ? 33.278 -25.412 -73.630 1.00 81.44 ? 142 HIS B NE2 1 ATOM 3626 N N . LYS B 2 143 ? 30.973 -21.267 -76.965 1.00 93.32 ? 143 LYS B N 1 ATOM 3627 C CA . LYS B 2 143 ? 29.661 -20.755 -76.567 1.00 94.65 ? 143 LYS B CA 1 ATOM 3628 C C . LYS B 2 143 ? 29.193 -21.591 -75.382 1.00 93.97 ? 143 LYS B C 1 ATOM 3629 O O . LYS B 2 143 ? 28.962 -22.794 -75.507 1.00 94.10 ? 143 LYS B O 1 ATOM 3630 C CB . LYS B 2 143 ? 28.640 -20.816 -77.719 1.00 89.73 ? 143 LYS B CB 1 ATOM 3631 N N . CYS B 2 144 ? 29.088 -20.958 -74.223 1.00 92.60 ? 144 CYS B N 1 ATOM 3632 C CA . CYS B 2 144 ? 28.650 -21.658 -73.032 1.00 95.48 ? 144 CYS B CA 1 ATOM 3633 C C . CYS B 2 144 ? 27.504 -20.863 -72.423 1.00 92.54 ? 144 CYS B C 1 ATOM 3634 O O . CYS B 2 144 ? 27.717 -19.962 -71.617 1.00 92.23 ? 144 CYS B O 1 ATOM 3635 C CB . CYS B 2 144 ? 29.838 -21.860 -72.073 1.00 92.91 ? 144 CYS B CB 1 ATOM 3636 S SG . CYS B 2 144 ? 29.691 -23.136 -70.785 1.00 108.88 ? 144 CYS B SG 1 ATOM 3637 N N . ASP B 2 145 ? 26.288 -21.198 -72.858 1.00 91.80 ? 145 ASP B N 1 ATOM 3638 C CA . ASP B 2 145 ? 25.061 -20.614 -72.304 1.00 93.19 ? 145 ASP B CA 1 ATOM 3639 C C . ASP B 2 145 ? 24.820 -21.014 -70.830 1.00 91.22 ? 145 ASP B C 1 ATOM 3640 O O . ASP B 2 145 ? 25.545 -21.836 -70.263 1.00 88.44 ? 145 ASP B O 1 ATOM 3641 C CB . ASP B 2 145 ? 23.840 -20.957 -73.188 1.00 94.82 ? 145 ASP B CB 1 ATOM 3642 C CG . ASP B 2 145 ? 23.511 -22.462 -73.239 1.00 96.79 ? 145 ASP B CG 1 ATOM 3643 O OD1 . ASP B 2 145 ? 24.352 -23.317 -72.886 1.00 94.11 ? 145 ASP B OD1 1 ATOM 3644 O OD2 . ASP B 2 145 ? 22.385 -22.791 -73.670 1.00 102.03 ? 145 ASP B OD2 1 ATOM 3645 N N . ASN B 2 146 ? 23.806 -20.425 -70.210 1.00 91.54 ? 146 ASN B N 1 ATOM 3646 C CA . ASN B 2 146 ? 23.538 -20.681 -68.800 1.00 88.71 ? 146 ASN B CA 1 ATOM 3647 C C . ASN B 2 146 ? 23.403 -22.160 -68.495 1.00 91.11 ? 146 ASN B C 1 ATOM 3648 O O . ASN B 2 146 ? 23.952 -22.625 -67.509 1.00 95.84 ? 146 ASN B O 1 ATOM 3649 C CB . ASN B 2 146 ? 22.295 -19.934 -68.333 1.00 88.00 ? 146 ASN B CB 1 ATOM 3650 C CG . ASN B 2 146 ? 22.506 -18.433 -68.272 1.00 88.09 ? 146 ASN B CG 1 ATOM 3651 O OD1 . ASN B 2 146 ? 23.634 -17.943 -68.174 1.00 85.27 ? 146 ASN B OD1 1 ATOM 3652 N ND2 . ASN B 2 146 ? 21.411 -17.691 -68.330 1.00 90.93 ? 146 ASN B ND2 1 ATOM 3653 N N . ALA B 2 147 ? 22.704 -22.908 -69.341 1.00 95.65 ? 147 ALA B N 1 ATOM 3654 C CA . ALA B 2 147 ? 22.607 -24.366 -69.163 1.00 97.17 ? 147 ALA B CA 1 ATOM 3655 C C . ALA B 2 147 ? 23.989 -25.053 -69.064 1.00 92.29 ? 147 ALA B C 1 ATOM 3656 O O . ALA B 2 147 ? 24.192 -25.940 -68.244 1.00 91.04 ? 147 ALA B O 1 ATOM 3657 C CB . ALA B 2 147 ? 21.793 -24.978 -70.295 1.00 99.48 ? 147 ALA B CB 1 ATOM 3658 N N . CYS B 2 148 ? 24.918 -24.626 -69.909 1.00 88.57 ? 148 CYS B N 1 ATOM 3659 C CA . CYS B 2 148 ? 26.281 -25.158 -69.960 1.00 88.56 ? 148 CYS B CA 1 ATOM 3660 C C . CYS B 2 148 ? 27.069 -24.796 -68.681 1.00 85.26 ? 148 CYS B C 1 ATOM 3661 O O . CYS B 2 148 ? 27.767 -25.632 -68.075 1.00 79.05 ? 148 CYS B O 1 ATOM 3662 C CB . CYS B 2 148 ? 26.955 -24.591 -71.226 1.00 91.27 ? 148 CYS B CB 1 ATOM 3663 S SG . CYS B 2 148 ? 28.724 -24.856 -71.510 1.00 98.55 ? 148 CYS B SG 1 ATOM 3664 N N . ILE B 2 149 ? 26.945 -23.545 -68.264 1.00 81.46 ? 149 ILE B N 1 ATOM 3665 C CA . ILE B 2 149 ? 27.545 -23.117 -67.014 1.00 83.29 ? 149 ILE B CA 1 ATOM 3666 C C . ILE B 2 149 ? 26.923 -23.852 -65.829 1.00 79.83 ? 149 ILE B C 1 ATOM 3667 O O . ILE B 2 149 ? 27.617 -24.224 -64.901 1.00 77.78 ? 149 ILE B O 1 ATOM 3668 C CB . ILE B 2 149 ? 27.387 -21.605 -66.800 1.00 86.92 ? 149 ILE B CB 1 ATOM 3669 C CG1 . ILE B 2 149 ? 28.116 -20.824 -67.903 1.00 86.44 ? 149 ILE B CG1 1 ATOM 3670 C CG2 . ILE B 2 149 ? 27.917 -21.205 -65.431 1.00 84.46 ? 149 ILE B CG2 1 ATOM 3671 C CD1 . ILE B 2 149 ? 29.615 -20.757 -67.731 1.00 84.23 ? 149 ILE B CD1 1 ATOM 3672 N N . GLU B 2 150 ? 25.616 -24.055 -65.864 1.00 82.84 ? 150 GLU B N 1 ATOM 3673 C CA . GLU B 2 150 ? 24.943 -24.882 -64.870 1.00 88.84 ? 150 GLU B CA 1 ATOM 3674 C C . GLU B 2 150 ? 25.547 -26.303 -64.847 1.00 89.35 ? 150 GLU B C 1 ATOM 3675 O O . GLU B 2 150 ? 25.750 -26.876 -63.781 1.00 86.40 ? 150 GLU B O 1 ATOM 3676 C CB . GLU B 2 150 ? 23.429 -24.918 -65.153 1.00 97.38 ? 150 GLU B CB 1 ATOM 3677 C CG . GLU B 2 150 ? 22.539 -25.288 -63.974 1.00 104.29 ? 150 GLU B CG 1 ATOM 3678 C CD . GLU B 2 150 ? 22.158 -26.758 -63.923 1.00 110.76 ? 150 GLU B CD 1 ATOM 3679 O OE1 . GLU B 2 150 ? 22.897 -27.594 -64.487 1.00 117.25 ? 150 GLU B OE1 1 ATOM 3680 O OE2 . GLU B 2 150 ? 21.115 -27.083 -63.309 1.00 112.24 ? 150 GLU B OE2 1 ATOM 3681 N N . SER B 2 151 ? 25.857 -26.867 -66.015 1.00 90.08 ? 151 SER B N 1 ATOM 3682 C CA . SER B 2 151 ? 26.425 -28.226 -66.062 1.00 88.14 ? 151 SER B CA 1 ATOM 3683 C C . SER B 2 151 ? 27.790 -28.305 -65.366 1.00 80.87 ? 151 SER B C 1 ATOM 3684 O O . SER B 2 151 ? 28.126 -29.334 -64.801 1.00 75.81 ? 151 SER B O 1 ATOM 3685 C CB . SER B 2 151 ? 26.539 -28.753 -67.505 1.00 85.70 ? 151 SER B CB 1 ATOM 3686 O OG . SER B 2 151 ? 27.685 -28.231 -68.164 1.00 83.58 ? 151 SER B OG 1 ATOM 3687 N N . ILE B 2 152 ? 28.565 -27.224 -65.430 1.00 78.83 ? 152 ILE B N 1 ATOM 3688 C CA . ILE B 2 152 ? 29.888 -27.170 -64.795 1.00 80.08 ? 152 ILE B CA 1 ATOM 3689 C C . ILE B 2 152 ? 29.767 -27.052 -63.281 1.00 80.23 ? 152 ILE B C 1 ATOM 3690 O O . ILE B 2 152 ? 30.516 -27.691 -62.563 1.00 76.04 ? 152 ILE B O 1 ATOM 3691 C CB . ILE B 2 152 ? 30.747 -25.993 -65.316 1.00 80.24 ? 152 ILE B CB 1 ATOM 3692 C CG1 . ILE B 2 152 ? 31.197 -26.239 -66.755 1.00 79.78 ? 152 ILE B CG1 1 ATOM 3693 C CG2 . ILE B 2 152 ? 31.986 -25.793 -64.456 1.00 80.36 ? 152 ILE B CG2 1 ATOM 3694 C CD1 . ILE B 2 152 ? 31.686 -24.989 -67.455 1.00 78.74 ? 152 ILE B CD1 1 ATOM 3695 N N . ARG B 2 153 ? 28.826 -26.236 -62.813 1.00 82.93 ? 153 ARG B N 1 ATOM 3696 C CA . ARG B 2 153 ? 28.549 -26.100 -61.379 1.00 81.39 ? 153 ARG B CA 1 ATOM 3697 C C . ARG B 2 153 ? 28.010 -27.391 -60.749 1.00 83.48 ? 153 ARG B C 1 ATOM 3698 O O . ARG B 2 153 ? 28.311 -27.678 -59.596 1.00 87.24 ? 153 ARG B O 1 ATOM 3699 C CB . ARG B 2 153 ? 27.547 -24.970 -61.130 1.00 82.81 ? 153 ARG B CB 1 ATOM 3700 C CG . ARG B 2 153 ? 27.965 -23.606 -61.673 1.00 84.47 ? 153 ARG B CG 1 ATOM 3701 C CD . ARG B 2 153 ? 26.996 -22.479 -61.296 1.00 88.29 ? 153 ARG B CD 1 ATOM 3702 N NE . ARG B 2 153 ? 25.565 -22.849 -61.259 1.00 89.88 ? 153 ARG B NE 1 ATOM 3703 C CZ . ARG B 2 153 ? 24.617 -22.425 -62.107 1.00 97.99 ? 153 ARG B CZ 1 ATOM 3704 N NH1 . ARG B 2 153 ? 24.872 -21.592 -63.127 1.00 97.68 ? 153 ARG B NH1 1 ATOM 3705 N NH2 . ARG B 2 153 ? 23.370 -22.850 -61.938 1.00 104.06 ? 153 ARG B NH2 1 ATOM 3706 N N . THR B 2 154 ? 27.219 -28.160 -61.495 1.00 85.48 ? 154 THR B N 1 ATOM 3707 C CA . THR B 2 154 ? 26.629 -29.401 -60.984 1.00 91.23 ? 154 THR B CA 1 ATOM 3708 C C . THR B 2 154 ? 27.513 -30.630 -61.200 1.00 90.98 ? 154 THR B C 1 ATOM 3709 O O . THR B 2 154 ? 27.131 -31.737 -60.823 1.00 97.93 ? 154 THR B O 1 ATOM 3710 C CB . THR B 2 154 ? 25.275 -29.713 -61.668 1.00 99.87 ? 154 THR B CB 1 ATOM 3711 O OG1 . THR B 2 154 ? 24.572 -28.499 -61.919 1.00 105.02 ? 154 THR B OG1 1 ATOM 3712 C CG2 . THR B 2 154 ? 24.389 -30.640 -60.794 1.00 104.03 ? 154 THR B CG2 1 ATOM 3713 N N . GLY B 2 155 ? 28.669 -30.460 -61.834 1.00 87.72 ? 155 GLY B N 1 ATOM 3714 C CA . GLY B 2 155 ? 29.553 -31.598 -62.133 1.00 84.49 ? 155 GLY B CA 1 ATOM 3715 C C . GLY B 2 155 ? 29.142 -32.528 -63.274 1.00 83.68 ? 155 GLY B C 1 ATOM 3716 O O . GLY B 2 155 ? 29.687 -33.615 -63.376 1.00 84.56 ? 155 GLY B O 1 ATOM 3717 N N . THR B 2 156 ? 28.215 -32.104 -64.137 1.00 80.17 ? 156 THR B N 1 ATOM 3718 C CA . THR B 2 156 ? 27.763 -32.918 -65.262 1.00 84.57 ? 156 THR B CA 1 ATOM 3719 C C . THR B 2 156 ? 28.397 -32.560 -66.637 1.00 84.62 ? 156 THR B C 1 ATOM 3720 O O . THR B 2 156 ? 28.104 -33.198 -67.637 1.00 81.94 ? 156 THR B O 1 ATOM 3721 C CB . THR B 2 156 ? 26.216 -32.863 -65.382 1.00 88.71 ? 156 THR B CB 1 ATOM 3722 O OG1 . THR B 2 156 ? 25.782 -31.539 -65.722 1.00 88.86 ? 156 THR B OG1 1 ATOM 3723 C CG2 . THR B 2 156 ? 25.578 -33.256 -64.074 1.00 91.41 ? 156 THR B CG2 1 ATOM 3724 N N . TYR B 2 157 ? 29.267 -31.559 -66.679 1.00 82.20 ? 157 TYR B N 1 ATOM 3725 C CA . TYR B 2 157 ? 29.857 -31.073 -67.932 1.00 81.86 ? 157 TYR B CA 1 ATOM 3726 C C . TYR B 2 157 ? 30.702 -32.113 -68.682 1.00 82.85 ? 157 TYR B C 1 ATOM 3727 O O . TYR B 2 157 ? 31.725 -32.546 -68.202 1.00 82.67 ? 157 TYR B O 1 ATOM 3728 C CB . TYR B 2 157 ? 30.705 -29.838 -67.618 1.00 80.27 ? 157 TYR B CB 1 ATOM 3729 C CG . TYR B 2 157 ? 31.564 -29.292 -68.737 1.00 82.49 ? 157 TYR B CG 1 ATOM 3730 C CD1 . TYR B 2 157 ? 31.060 -28.352 -69.648 1.00 87.29 ? 157 TYR B CD1 1 ATOM 3731 C CD2 . TYR B 2 157 ? 32.891 -29.667 -68.857 1.00 82.63 ? 157 TYR B CD2 1 ATOM 3732 C CE1 . TYR B 2 157 ? 31.858 -27.823 -70.660 1.00 82.32 ? 157 TYR B CE1 1 ATOM 3733 C CE2 . TYR B 2 157 ? 33.693 -29.146 -69.857 1.00 84.00 ? 157 TYR B CE2 1 ATOM 3734 C CZ . TYR B 2 157 ? 33.175 -28.228 -70.757 1.00 82.35 ? 157 TYR B CZ 1 ATOM 3735 O OH . TYR B 2 157 ? 33.991 -27.728 -71.745 1.00 78.81 ? 157 TYR B OH 1 ATOM 3736 N N . ASP B 2 158 ? 30.278 -32.486 -69.882 1.00 88.30 ? 158 ASP B N 1 ATOM 3737 C CA . ASP B 2 158 ? 31.000 -33.466 -70.692 1.00 88.34 ? 158 ASP B CA 1 ATOM 3738 C C . ASP B 2 158 ? 31.921 -32.694 -71.620 1.00 87.30 ? 158 ASP B C 1 ATOM 3739 O O . ASP B 2 158 ? 31.459 -31.972 -72.495 1.00 93.69 ? 158 ASP B O 1 ATOM 3740 C CB . ASP B 2 158 ? 30.012 -34.330 -71.485 1.00 89.59 ? 158 ASP B CB 1 ATOM 3741 C CG . ASP B 2 158 ? 30.702 -35.356 -72.377 1.00 94.46 ? 158 ASP B CG 1 ATOM 3742 O OD1 . ASP B 2 158 ? 31.947 -35.485 -72.271 1.00 92.72 ? 158 ASP B OD1 1 ATOM 3743 O OD2 . ASP B 2 158 ? 29.995 -36.027 -73.186 1.00 93.76 ? 158 ASP B OD2 1 ATOM 3744 N N . HIS B 2 159 ? 33.223 -32.835 -71.431 1.00 83.74 ? 159 HIS B N 1 ATOM 3745 C CA . HIS B 2 159 ? 34.160 -31.993 -72.151 1.00 82.54 ? 159 HIS B CA 1 ATOM 3746 C C . HIS B 2 159 ? 34.360 -32.455 -73.611 1.00 84.84 ? 159 HIS B C 1 ATOM 3747 O O . HIS B 2 159 ? 34.695 -31.643 -74.462 1.00 80.46 ? 159 HIS B O 1 ATOM 3748 C CB . HIS B 2 159 ? 35.494 -31.917 -71.410 1.00 79.13 ? 159 HIS B CB 1 ATOM 3749 C CG . HIS B 2 159 ? 36.355 -33.106 -71.643 1.00 81.40 ? 159 HIS B CG 1 ATOM 3750 N ND1 . HIS B 2 159 ? 37.412 -33.092 -72.528 1.00 81.66 ? 159 HIS B ND1 1 ATOM 3751 C CD2 . HIS B 2 159 ? 36.275 -34.367 -71.163 1.00 82.46 ? 159 HIS B CD2 1 ATOM 3752 C CE1 . HIS B 2 159 ? 37.959 -34.292 -72.569 1.00 83.91 ? 159 HIS B CE1 1 ATOM 3753 N NE2 . HIS B 2 159 ? 37.287 -35.084 -71.751 1.00 86.45 ? 159 HIS B NE2 1 ATOM 3754 N N . TYR B 2 160 ? 34.143 -33.740 -73.902 1.00 89.67 ? 160 TYR B N 1 ATOM 3755 C CA . TYR B 2 160 ? 34.333 -34.265 -75.265 1.00 90.82 ? 160 TYR B CA 1 ATOM 3756 C C . TYR B 2 160 ? 33.421 -33.559 -76.238 1.00 88.43 ? 160 TYR B C 1 ATOM 3757 O O . TYR B 2 160 ? 33.799 -33.311 -77.374 1.00 88.34 ? 160 TYR B O 1 ATOM 3758 C CB . TYR B 2 160 ? 34.102 -35.785 -75.336 1.00 97.45 ? 160 TYR B CB 1 ATOM 3759 C CG . TYR B 2 160 ? 35.213 -36.597 -74.691 1.00 108.69 ? 160 TYR B CG 1 ATOM 3760 C CD1 . TYR B 2 160 ? 36.430 -36.804 -75.351 1.00 115.15 ? 160 TYR B CD1 1 ATOM 3761 C CD2 . TYR B 2 160 ? 35.061 -37.148 -73.411 1.00 113.73 ? 160 TYR B CD2 1 ATOM 3762 C CE1 . TYR B 2 160 ? 37.457 -37.540 -74.760 1.00 117.73 ? 160 TYR B CE1 1 ATOM 3763 C CE2 . TYR B 2 160 ? 36.083 -37.889 -72.813 1.00 118.07 ? 160 TYR B CE2 1 ATOM 3764 C CZ . TYR B 2 160 ? 37.280 -38.082 -73.492 1.00 118.41 ? 160 TYR B CZ 1 ATOM 3765 O OH . TYR B 2 160 ? 38.299 -38.807 -72.907 1.00 115.69 ? 160 TYR B OH 1 ATOM 3766 N N . ILE B 2 161 ? 32.222 -33.236 -75.776 1.00 88.41 ? 161 ILE B N 1 ATOM 3767 C CA . ILE B 2 161 ? 31.209 -32.557 -76.587 1.00 89.49 ? 161 ILE B CA 1 ATOM 3768 C C . ILE B 2 161 ? 31.709 -31.249 -77.205 1.00 87.83 ? 161 ILE B C 1 ATOM 3769 O O . ILE B 2 161 ? 31.481 -30.986 -78.400 1.00 91.47 ? 161 ILE B O 1 ATOM 3770 C CB . ILE B 2 161 ? 29.946 -32.299 -75.731 1.00 91.33 ? 161 ILE B CB 1 ATOM 3771 C CG1 . ILE B 2 161 ? 29.083 -33.563 -75.696 1.00 95.81 ? 161 ILE B CG1 1 ATOM 3772 C CG2 . ILE B 2 161 ? 29.128 -31.125 -76.251 1.00 91.86 ? 161 ILE B CG2 1 ATOM 3773 C CD1 . ILE B 2 161 ? 28.105 -33.612 -74.533 1.00 99.85 ? 161 ILE B CD1 1 ATOM 3774 N N . TYR B 2 162 ? 32.384 -30.446 -76.385 1.00 83.19 ? 162 TYR B N 1 ATOM 3775 C CA . TYR B 2 162 ? 32.868 -29.124 -76.781 1.00 82.17 ? 162 TYR B CA 1 ATOM 3776 C C . TYR B 2 162 ? 34.298 -29.118 -77.300 1.00 79.87 ? 162 TYR B C 1 ATOM 3777 O O . TYR B 2 162 ? 34.814 -28.062 -77.652 1.00 78.92 ? 162 TYR B O 1 ATOM 3778 C CB . TYR B 2 162 ? 32.786 -28.156 -75.587 1.00 84.26 ? 162 TYR B CB 1 ATOM 3779 C CG . TYR B 2 162 ? 31.387 -28.019 -75.050 1.00 88.46 ? 162 TYR B CG 1 ATOM 3780 C CD1 . TYR B 2 162 ? 30.441 -27.266 -75.727 1.00 91.74 ? 162 TYR B CD1 1 ATOM 3781 C CD2 . TYR B 2 162 ? 30.991 -28.680 -73.891 1.00 88.58 ? 162 TYR B CD2 1 ATOM 3782 C CE1 . TYR B 2 162 ? 29.143 -27.157 -75.253 1.00 91.46 ? 162 TYR B CE1 1 ATOM 3783 C CE2 . TYR B 2 162 ? 29.695 -28.569 -73.410 1.00 87.20 ? 162 TYR B CE2 1 ATOM 3784 C CZ . TYR B 2 162 ? 28.781 -27.809 -74.097 1.00 87.14 ? 162 TYR B CZ 1 ATOM 3785 O OH . TYR B 2 162 ? 27.505 -27.691 -73.640 1.00 86.16 ? 162 TYR B OH 1 ATOM 3786 N N . ARG B 2 163 ? 34.952 -30.272 -77.345 1.00 81.18 ? 163 ARG B N 1 ATOM 3787 C CA . ARG B 2 163 ? 36.396 -30.303 -77.574 1.00 83.01 ? 163 ARG B CA 1 ATOM 3788 C C . ARG B 2 163 ? 36.766 -29.749 -78.954 1.00 85.08 ? 163 ARG B C 1 ATOM 3789 O O . ARG B 2 163 ? 37.618 -28.869 -79.062 1.00 86.30 ? 163 ARG B O 1 ATOM 3790 C CB . ARG B 2 163 ? 36.932 -31.722 -77.409 1.00 84.27 ? 163 ARG B CB 1 ATOM 3791 C CG . ARG B 2 163 ? 38.448 -31.828 -77.386 1.00 84.23 ? 163 ARG B CG 1 ATOM 3792 C CD . ARG B 2 163 ? 38.849 -33.296 -77.369 1.00 86.34 ? 163 ARG B CD 1 ATOM 3793 N NE . ARG B 2 163 ? 40.295 -33.499 -77.406 1.00 84.76 ? 163 ARG B NE 1 ATOM 3794 C CZ . ARG B 2 163 ? 41.010 -33.829 -78.482 1.00 87.17 ? 163 ARG B CZ 1 ATOM 3795 N NH1 . ARG B 2 163 ? 40.459 -33.994 -79.686 1.00 86.70 ? 163 ARG B NH1 1 ATOM 3796 N NH2 . ARG B 2 163 ? 42.318 -33.987 -78.348 1.00 90.54 ? 163 ARG B NH2 1 ATOM 3797 N N . ASP B 2 164 ? 36.120 -30.235 -80.006 1.00 83.86 ? 164 ASP B N 1 ATOM 3798 C CA . ASP B 2 164 ? 36.468 -29.758 -81.340 1.00 85.41 ? 164 ASP B CA 1 ATOM 3799 C C . ASP B 2 164 ? 36.229 -28.257 -81.443 1.00 82.26 ? 164 ASP B C 1 ATOM 3800 O O . ASP B 2 164 ? 37.061 -27.540 -81.989 1.00 84.62 ? 164 ASP B O 1 ATOM 3801 C CB . ASP B 2 164 ? 35.735 -30.544 -82.438 1.00 86.10 ? 164 ASP B CB 1 ATOM 3802 C CG . ASP B 2 164 ? 36.120 -32.017 -82.445 1.00 87.74 ? 164 ASP B CG 1 ATOM 3803 O OD1 . ASP B 2 164 ? 37.034 -32.393 -81.688 1.00 96.56 ? 164 ASP B OD1 1 ATOM 3804 O OD2 . ASP B 2 164 ? 35.508 -32.810 -83.171 1.00 86.35 ? 164 ASP B OD2 1 ATOM 3805 N N . GLU B 2 165 ? 35.128 -27.773 -80.883 1.00 79.40 ? 165 GLU B N 1 ATOM 3806 C CA . GLU B 2 165 ? 34.832 -26.335 -80.930 1.00 79.03 ? 165 GLU B CA 1 ATOM 3807 C C . GLU B 2 165 ? 35.914 -25.508 -80.229 1.00 79.75 ? 165 GLU B C 1 ATOM 3808 O O . GLU B 2 165 ? 36.331 -24.468 -80.727 1.00 80.38 ? 165 GLU B O 1 ATOM 3809 C CB . GLU B 2 165 ? 33.453 -26.051 -80.322 1.00 78.70 ? 165 GLU B CB 1 ATOM 3810 C CG . GLU B 2 165 ? 33.081 -24.573 -80.215 1.00 79.69 ? 165 GLU B CG 1 ATOM 3811 C CD . GLU B 2 165 ? 31.651 -24.362 -79.727 1.00 83.61 ? 165 GLU B CD 1 ATOM 3812 O OE1 . GLU B 2 165 ? 31.001 -25.351 -79.307 1.00 90.53 ? 165 GLU B OE1 1 ATOM 3813 O OE2 . GLU B 2 165 ? 31.178 -23.206 -79.743 1.00 81.49 ? 165 GLU B OE2 1 ATOM 3814 N N . ALA B 2 166 ? 36.361 -25.978 -79.070 1.00 80.82 ? 166 ALA B N 1 ATOM 3815 C CA . ALA B 2 166 ? 37.349 -25.252 -78.274 1.00 80.18 ? 166 ALA B CA 1 ATOM 3816 C C . ALA B 2 166 ? 38.711 -25.324 -78.927 1.00 81.39 ? 166 ALA B C 1 ATOM 3817 O O . ALA B 2 166 ? 39.506 -24.408 -78.795 1.00 84.64 ? 166 ALA B O 1 ATOM 3818 C CB . ALA B 2 166 ? 37.399 -25.792 -76.845 1.00 76.59 ? 166 ALA B CB 1 ATOM 3819 N N . LEU B 2 167 ? 38.973 -26.419 -79.631 1.00 85.25 ? 167 LEU B N 1 ATOM 3820 C CA . LEU B 2 167 ? 40.182 -26.550 -80.447 1.00 85.14 ? 167 LEU B CA 1 ATOM 3821 C C . LEU B 2 167 ? 40.241 -25.501 -81.549 1.00 85.54 ? 167 LEU B C 1 ATOM 3822 O O . LEU B 2 167 ? 41.286 -24.881 -81.778 1.00 88.33 ? 167 LEU B O 1 ATOM 3823 C CB . LEU B 2 167 ? 40.264 -27.949 -81.066 1.00 86.32 ? 167 LEU B CB 1 ATOM 3824 C CG . LEU B 2 167 ? 41.317 -28.956 -80.566 1.00 87.40 ? 167 LEU B CG 1 ATOM 3825 C CD1 . LEU B 2 167 ? 42.107 -28.514 -79.350 1.00 85.30 ? 167 LEU B CD1 1 ATOM 3826 C CD2 . LEU B 2 167 ? 40.664 -30.310 -80.313 1.00 88.95 ? 167 LEU B CD2 1 ATOM 3827 N N . ASN B 2 168 ? 39.125 -25.300 -82.236 1.00 84.80 ? 168 ASN B N 1 ATOM 3828 C CA . ASN B 2 168 ? 39.103 -24.348 -83.340 1.00 85.10 ? 168 ASN B CA 1 ATOM 3829 C C . ASN B 2 168 ? 39.395 -22.958 -82.819 1.00 87.10 ? 168 ASN B C 1 ATOM 3830 O O . ASN B 2 168 ? 40.198 -22.222 -83.402 1.00 90.32 ? 168 ASN B O 1 ATOM 3831 C CB . ASN B 2 168 ? 37.763 -24.377 -84.063 1.00 83.34 ? 168 ASN B CB 1 ATOM 3832 C CG . ASN B 2 168 ? 37.479 -25.718 -84.710 1.00 84.84 ? 168 ASN B CG 1 ATOM 3833 O OD1 . ASN B 2 168 ? 38.384 -26.514 -84.951 1.00 83.23 ? 168 ASN B OD1 1 ATOM 3834 N ND2 . ASN B 2 168 ? 36.209 -25.982 -84.982 1.00 88.37 ? 168 ASN B ND2 1 ATOM 3835 N N . ASN B 2 169 ? 38.774 -22.615 -81.694 1.00 86.18 ? 169 ASN B N 1 ATOM 3836 C CA . ASN B 2 169 ? 38.918 -21.276 -81.143 1.00 87.26 ? 169 ASN B CA 1 ATOM 3837 C C . ASN B 2 169 ? 40.279 -21.084 -80.508 1.00 85.68 ? 169 ASN B C 1 ATOM 3838 O O . ASN B 2 169 ? 40.881 -20.028 -80.645 1.00 88.61 ? 169 ASN B O 1 ATOM 3839 C CB . ASN B 2 169 ? 37.786 -20.962 -80.167 1.00 87.17 ? 169 ASN B CB 1 ATOM 3840 C CG . ASN B 2 169 ? 36.423 -20.990 -80.842 1.00 90.82 ? 169 ASN B CG 1 ATOM 3841 O OD1 . ASN B 2 169 ? 36.314 -20.739 -82.041 1.00 96.12 ? 169 ASN B OD1 1 ATOM 3842 N ND2 . ASN B 2 169 ? 35.385 -21.318 -80.088 1.00 93.78 ? 169 ASN B ND2 1 ATOM 3843 N N . ARG B 2 170 ? 40.783 -22.112 -79.844 1.00 83.20 ? 170 ARG B N 1 ATOM 3844 C CA . ARG B 2 170 ? 42.098 -22.016 -79.228 1.00 85.28 ? 170 ARG B CA 1 ATOM 3845 C C . ARG B 2 170 ? 43.125 -21.777 -80.315 1.00 86.15 ? 170 ARG B C 1 ATOM 3846 O O . ARG B 2 170 ? 43.837 -20.769 -80.308 1.00 83.36 ? 170 ARG B O 1 ATOM 3847 C CB . ARG B 2 170 ? 42.426 -23.295 -78.445 1.00 86.49 ? 170 ARG B CB 1 ATOM 3848 C CG . ARG B 2 170 ? 43.699 -23.232 -77.608 1.00 85.32 ? 170 ARG B CG 1 ATOM 3849 C CD . ARG B 2 170 ? 43.801 -24.382 -76.608 1.00 82.06 ? 170 ARG B CD 1 ATOM 3850 N NE . ARG B 2 170 ? 44.292 -23.860 -75.337 1.00 84.21 ? 170 ARG B NE 1 ATOM 3851 C CZ . ARG B 2 170 ? 43.675 -23.963 -74.165 1.00 88.04 ? 170 ARG B CZ 1 ATOM 3852 N NH1 . ARG B 2 170 ? 42.535 -24.620 -74.037 1.00 91.81 ? 170 ARG B NH1 1 ATOM 3853 N NH2 . ARG B 2 170 ? 44.221 -23.427 -73.085 1.00 98.75 ? 170 ARG B NH2 1 ATOM 3854 N N . PHE B 2 171 ? 43.141 -22.686 -81.283 1.00 87.92 ? 171 PHE B N 1 ATOM 3855 C CA . PHE B 2 171 ? 44.210 -22.744 -82.246 1.00 90.36 ? 171 PHE B CA 1 ATOM 3856 C C . PHE B 2 171 ? 43.974 -21.995 -83.549 1.00 94.15 ? 171 PHE B C 1 ATOM 3857 O O . PHE B 2 171 ? 44.628 -22.285 -84.538 1.00 100.16 ? 171 PHE B O 1 ATOM 3858 C CB . PHE B 2 171 ? 44.590 -24.193 -82.509 1.00 90.72 ? 171 PHE B CB 1 ATOM 3859 C CG . PHE B 2 171 ? 45.425 -24.765 -81.435 1.00 90.93 ? 171 PHE B CG 1 ATOM 3860 C CD1 . PHE B 2 171 ? 46.685 -24.259 -81.203 1.00 94.13 ? 171 PHE B CD1 1 ATOM 3861 C CD2 . PHE B 2 171 ? 44.952 -25.774 -80.640 1.00 90.94 ? 171 PHE B CD2 1 ATOM 3862 C CE1 . PHE B 2 171 ? 47.472 -24.764 -80.191 1.00 95.51 ? 171 PHE B CE1 1 ATOM 3863 C CE2 . PHE B 2 171 ? 45.732 -26.288 -79.627 1.00 94.43 ? 171 PHE B CE2 1 ATOM 3864 C CZ . PHE B 2 171 ? 46.995 -25.783 -79.399 1.00 94.56 ? 171 PHE B CZ 1 ATOM 3865 N N . GLN B 2 172 ? 43.089 -21.013 -83.560 1.00 94.61 ? 172 GLN B N 1 ATOM 3866 C CA . GLN B 2 172 ? 43.186 -19.968 -84.560 1.00 98.34 ? 172 GLN B CA 1 ATOM 3867 C C . GLN B 2 172 ? 44.580 -19.294 -84.599 1.00 108.99 ? 172 GLN B C 1 ATOM 3868 O O . GLN B 2 172 ? 44.621 -18.105 -84.891 1.00 112.30 ? 172 GLN B O 1 ATOM 3869 C CB . GLN B 2 172 ? 42.206 -18.860 -84.216 1.00 96.70 ? 172 GLN B CB 1 ATOM 3870 C CG . GLN B 2 172 ? 40.769 -19.094 -84.563 1.00 98.45 ? 172 GLN B CG 1 ATOM 3871 C CD . GLN B 2 172 ? 39.957 -17.861 -84.242 1.00 97.27 ? 172 GLN B CD 1 ATOM 3872 O OE1 . GLN B 2 172 ? 39.585 -17.098 -85.129 1.00 101.52 ? 172 GLN B OE1 1 ATOM 3873 N NE2 . GLN B 2 172 ? 39.731 -17.628 -82.963 1.00 94.74 ? 172 GLN B NE2 1 ATOM 3874 N N . SER B 2 173 ? 45.707 -19.984 -84.305 1.00 112.94 ? 173 SER B N 1 ATOM 3875 C CA . SER B 2 173 ? 47.042 -19.300 -84.297 1.00 113.03 ? 173 SER B CA 1 ATOM 3876 C C . SER B 2 173 ? 48.386 -20.070 -84.577 1.00 110.49 ? 173 SER B C 1 ATOM 3877 O O . SER B 2 173 ? 48.411 -21.272 -84.869 1.00 105.21 ? 173 SER B O 1 ATOM 3878 C CB . SER B 2 173 ? 47.183 -18.475 -83.015 1.00 114.58 ? 173 SER B CB 1 ATOM 3879 O OG . SER B 2 173 ? 48.182 -17.478 -83.181 1.00 119.46 ? 173 SER B OG 1 ATOM 3880 N N . GLY B 2 174 ? 49.489 -19.317 -84.440 1.00 110.88 ? 174 GLY B N 1 ATOM 3881 C CA . GLY B 2 174 ? 50.772 -19.527 -85.147 1.00 112.50 ? 174 GLY B CA 1 ATOM 3882 C C . GLY B 2 174 ? 51.082 -18.225 -85.916 1.00 116.42 ? 174 GLY B C 1 ATOM 3883 O O . GLY B 2 174 ? 50.147 -17.503 -86.261 1.00 122.55 ? 174 GLY B O 1 ATOM 3884 N N . ARG B 2 175 ? 52.360 -17.922 -86.200 1.00 114.79 ? 175 ARG B N 1 ATOM 3885 C CA . ARG B 2 175 ? 52.818 -16.634 -86.827 1.00 113.62 ? 175 ARG B CA 1 ATOM 3886 C C . ARG B 2 175 ? 54.045 -16.067 -86.116 1.00 115.75 ? 175 ARG B C 1 ATOM 3887 O O . ARG B 2 175 ? 54.788 -15.268 -86.692 1.00 119.75 ? 175 ARG B O 1 ATOM 3888 C CB . ARG B 2 175 ? 51.728 -15.536 -86.904 1.00 112.80 ? 175 ARG B CB 1 ATOM 3889 C CG . ARG B 2 175 ? 52.159 -14.252 -87.625 1.00 116.21 ? 175 ARG B CG 1 HETATM 3890 C C1 . NAG C 3 . ? 29.691 -0.530 -40.480 1.00 119.80 ? 601 NAG A C1 1 HETATM 3891 C C2 . NAG C 3 . ? 28.184 -0.197 -40.509 1.00 125.04 ? 601 NAG A C2 1 HETATM 3892 C C3 . NAG C 3 . ? 27.764 1.306 -40.465 1.00 128.39 ? 601 NAG A C3 1 HETATM 3893 C C4 . NAG C 3 . ? 28.862 2.320 -40.127 1.00 136.15 ? 601 NAG A C4 1 HETATM 3894 C C5 . NAG C 3 . ? 30.251 1.776 -40.514 1.00 134.18 ? 601 NAG A C5 1 HETATM 3895 C C6 . NAG C 3 . ? 31.399 2.710 -40.111 1.00 133.35 ? 601 NAG A C6 1 HETATM 3896 C C7 . NAG C 3 . ? 27.607 -2.117 -41.987 1.00 123.90 ? 601 NAG A C7 1 HETATM 3897 C C8 . NAG C 3 . ? 27.060 -2.506 -43.344 1.00 117.34 ? 601 NAG A C8 1 HETATM 3898 N N2 . NAG C 3 . ? 27.680 -0.796 -41.745 1.00 129.22 ? 601 NAG A N2 1 HETATM 3899 O O3 . NAG C 3 . ? 26.688 1.570 -39.576 1.00 117.71 ? 601 NAG A O3 1 HETATM 3900 O O4 . NAG C 3 . ? 28.526 3.579 -40.715 1.00 135.10 ? 601 NAG A O4 1 HETATM 3901 O O5 . NAG C 3 . ? 30.426 0.515 -39.877 1.00 127.11 ? 601 NAG A O5 1 HETATM 3902 O O6 . NAG C 3 . ? 31.561 2.726 -38.702 1.00 130.69 ? 601 NAG A O6 1 HETATM 3903 O O7 . NAG C 3 . ? 27.950 -2.981 -41.169 1.00 116.78 ? 601 NAG A O7 1 HETATM 3904 C C1 . NAG D 3 . ? 20.594 -6.352 10.625 1.00 94.10 ? 611 NAG A C1 1 HETATM 3905 C C2 . NAG D 3 . ? 19.084 -6.424 10.588 1.00 100.14 ? 611 NAG A C2 1 HETATM 3906 C C3 . NAG D 3 . ? 18.388 -5.091 10.752 1.00 107.73 ? 611 NAG A C3 1 HETATM 3907 C C4 . NAG D 3 . ? 19.022 -4.212 11.819 1.00 117.79 ? 611 NAG A C4 1 HETATM 3908 C C5 . NAG D 3 . ? 20.548 -4.222 11.678 1.00 111.29 ? 611 NAG A C5 1 HETATM 3909 C C6 . NAG D 3 . ? 21.276 -3.508 12.819 1.00 111.68 ? 611 NAG A C6 1 HETATM 3910 C C7 . NAG D 3 . ? 17.989 -8.003 9.125 1.00 106.97 ? 611 NAG A C7 1 HETATM 3911 C C8 . NAG D 3 . ? 17.724 -8.425 7.697 1.00 101.20 ? 611 NAG A C8 1 HETATM 3912 N N2 . NAG D 3 . ? 18.754 -6.936 9.282 1.00 105.61 ? 611 NAG A N2 1 HETATM 3913 O O3 . NAG D 3 . ? 17.056 -5.363 11.105 1.00 105.90 ? 611 NAG A O3 1 HETATM 3914 O O4 . NAG D 3 . ? 18.528 -2.892 11.622 1.00 133.80 ? 611 NAG A O4 1 HETATM 3915 O O5 . NAG D 3 . ? 21.007 -5.548 11.698 1.00 103.07 ? 611 NAG A O5 1 HETATM 3916 O O6 . NAG D 3 . ? 20.945 -4.116 14.047 1.00 109.33 ? 611 NAG A O6 1 HETATM 3917 O O7 . NAG D 3 . ? 17.525 -8.594 10.105 1.00 105.02 ? 611 NAG A O7 1 HETATM 3918 C C1 . NAG E 3 . ? 17.989 -2.291 12.817 1.00 136.40 ? 612 NAG A C1 1 HETATM 3919 C C2 . NAG E 3 . ? 18.181 -0.771 12.766 1.00 140.68 ? 612 NAG A C2 1 HETATM 3920 C C3 . NAG E 3 . ? 17.562 -0.160 14.021 1.00 145.95 ? 612 NAG A C3 1 HETATM 3921 C C4 . NAG E 3 . ? 16.082 -0.517 14.021 1.00 148.84 ? 612 NAG A C4 1 HETATM 3922 C C5 . NAG E 3 . ? 15.995 -2.047 14.111 1.00 147.14 ? 612 NAG A C5 1 HETATM 3923 C C6 . NAG E 3 . ? 14.560 -2.563 14.259 1.00 147.16 ? 612 NAG A C6 1 HETATM 3924 C C7 . NAG E 3 . ? 20.176 -0.068 11.512 1.00 134.63 ? 612 NAG A C7 1 HETATM 3925 C C8 . NAG E 3 . ? 21.643 0.269 11.566 1.00 132.18 ? 612 NAG A C8 1 HETATM 3926 N N2 . NAG E 3 . ? 19.588 -0.407 12.662 1.00 137.32 ? 612 NAG A N2 1 HETATM 3927 O O3 . NAG E 3 . ? 17.741 1.237 14.082 1.00 145.38 ? 612 NAG A O3 1 HETATM 3928 O O4 . NAG E 3 . ? 15.410 0.149 15.073 1.00 149.65 ? 612 NAG A O4 1 HETATM 3929 O O5 . NAG E 3 . ? 16.619 -2.613 12.966 1.00 139.85 ? 612 NAG A O5 1 HETATM 3930 O O6 . NAG E 3 . ? 14.117 -3.174 13.068 1.00 144.87 ? 612 NAG A O6 1 HETATM 3931 O O7 . NAG E 3 . ? 19.578 -0.031 10.439 1.00 132.10 ? 612 NAG A O7 1 HETATM 3932 C C1 . NAG F 3 . ? 28.767 -14.381 -36.386 1.00 108.20 ? 621 NAG A C1 1 HETATM 3933 C C2 . NAG F 3 . ? 27.489 -14.820 -37.109 1.00 121.54 ? 621 NAG A C2 1 HETATM 3934 C C3 . NAG F 3 . ? 26.418 -15.466 -36.230 1.00 124.66 ? 621 NAG A C3 1 HETATM 3935 C C4 . NAG F 3 . ? 26.961 -16.287 -35.068 1.00 131.09 ? 621 NAG A C4 1 HETATM 3936 C C5 . NAG F 3 . ? 28.208 -15.656 -34.413 1.00 124.76 ? 621 NAG A C5 1 HETATM 3937 C C6 . NAG F 3 . ? 29.025 -16.650 -33.583 1.00 117.70 ? 621 NAG A C6 1 HETATM 3938 C C7 . NAG F 3 . ? 26.807 -13.529 -39.088 1.00 121.07 ? 621 NAG A C7 1 HETATM 3939 C C8 . NAG F 3 . ? 26.193 -12.253 -39.596 1.00 122.65 ? 621 NAG A C8 1 HETATM 3940 N N2 . NAG F 3 . ? 26.912 -13.650 -37.761 1.00 122.22 ? 621 NAG A N2 1 HETATM 3941 O O3 . NAG F 3 . ? 25.667 -16.348 -37.035 1.00 115.50 ? 621 NAG A O3 1 HETATM 3942 O O4 . NAG F 3 . ? 25.873 -16.471 -34.156 1.00 139.99 ? 621 NAG A O4 1 HETATM 3943 O O5 . NAG F 3 . ? 29.163 -15.245 -35.358 1.00 111.83 ? 621 NAG A O5 1 HETATM 3944 O O6 . NAG F 3 . ? 29.400 -17.750 -34.392 1.00 100.62 ? 621 NAG A O6 1 HETATM 3945 O O7 . NAG F 3 . ? 27.179 -14.394 -39.887 1.00 106.86 ? 621 NAG A O7 1 HETATM 3946 C C1 . NAG G 3 . ? 25.848 -17.807 -33.568 1.00 146.11 ? 622 NAG A C1 1 HETATM 3947 C C2 . NAG G 3 . ? 25.287 -17.724 -32.135 1.00 139.66 ? 622 NAG A C2 1 HETATM 3948 C C3 . NAG G 3 . ? 23.999 -18.537 -31.932 1.00 141.71 ? 622 NAG A C3 1 HETATM 3949 C C4 . NAG G 3 . ? 24.060 -19.940 -32.560 1.00 147.07 ? 622 NAG A C4 1 HETATM 3950 C C5 . NAG G 3 . ? 25.140 -20.053 -33.638 1.00 143.10 ? 622 NAG A C5 1 HETATM 3951 C C6 . NAG G 3 . ? 24.894 -21.266 -34.539 1.00 135.68 ? 622 NAG A C6 1 HETATM 3952 C C7 . NAG G 3 . ? 27.110 -17.362 -30.483 1.00 127.48 ? 622 NAG A C7 1 HETATM 3953 C C8 . NAG G 3 . ? 28.130 -18.020 -29.593 1.00 121.55 ? 622 NAG A C8 1 HETATM 3954 N N2 . NAG G 3 . ? 26.326 -18.174 -31.206 1.00 132.61 ? 622 NAG A N2 1 HETATM 3955 O O3 . NAG G 3 . ? 22.893 -17.834 -32.464 1.00 132.31 ? 622 NAG A O3 1 HETATM 3956 O O4 . NAG G 3 . ? 24.317 -20.915 -31.572 1.00 141.65 ? 622 NAG A O4 1 HETATM 3957 O O5 . NAG G 3 . ? 25.176 -18.811 -34.335 1.00 147.38 ? 622 NAG A O5 1 HETATM 3958 O O6 . NAG G 3 . ? 25.264 -20.981 -35.863 1.00 127.12 ? 622 NAG A O6 1 HETATM 3959 O O7 . NAG G 3 . ? 27.036 -16.134 -30.513 1.00 129.71 ? 622 NAG A O7 1 HETATM 3960 C C1 . NAG H 3 . ? 31.398 -43.413 32.775 1.00 86.82 ? 631 NAG A C1 1 HETATM 3961 C C2 . NAG H 3 . ? 31.872 -44.541 33.655 1.00 90.15 ? 631 NAG A C2 1 HETATM 3962 C C3 . NAG H 3 . ? 32.249 -45.754 32.812 1.00 88.49 ? 631 NAG A C3 1 HETATM 3963 C C4 . NAG H 3 . ? 31.088 -46.155 31.920 1.00 89.56 ? 631 NAG A C4 1 HETATM 3964 C C5 . NAG H 3 . ? 30.513 -44.930 31.206 1.00 93.92 ? 631 NAG A C5 1 HETATM 3965 C C6 . NAG H 3 . ? 29.248 -45.216 30.378 1.00 95.14 ? 631 NAG A C6 1 HETATM 3966 C C7 . NAG H 3 . ? 32.743 -43.647 35.781 1.00 98.54 ? 631 NAG A C7 1 HETATM 3967 C C8 . NAG H 3 . ? 31.394 -43.774 36.463 1.00 97.84 ? 631 NAG A C8 1 HETATM 3968 N N2 . NAG H 3 . ? 32.927 -44.016 34.500 1.00 94.75 ? 631 NAG A N2 1 HETATM 3969 O O3 . NAG H 3 . ? 32.503 -46.865 33.630 1.00 84.77 ? 631 NAG A O3 1 HETATM 3970 O O4 . NAG H 3 . ? 31.572 -47.071 30.962 1.00 88.32 ? 631 NAG A O4 1 HETATM 3971 O O5 . NAG H 3 . ? 30.239 -43.903 32.144 1.00 93.26 ? 631 NAG A O5 1 HETATM 3972 O O6 . NAG H 3 . ? 28.474 -46.294 30.867 1.00 96.29 ? 631 NAG A O6 1 HETATM 3973 O O7 . NAG H 3 . ? 33.684 -43.203 36.430 1.00 96.62 ? 631 NAG A O7 1 HETATM 3974 C C1 . NAG I 3 . ? 31.013 -48.384 31.150 1.00 89.17 ? 632 NAG A C1 1 HETATM 3975 C C2 . NAG I 3 . ? 31.282 -49.280 29.949 1.00 89.43 ? 632 NAG A C2 1 HETATM 3976 C C3 . NAG I 3 . ? 30.623 -50.640 30.156 1.00 93.20 ? 632 NAG A C3 1 HETATM 3977 C C4 . NAG I 3 . ? 31.178 -51.259 31.421 1.00 99.03 ? 632 NAG A C4 1 HETATM 3978 C C5 . NAG I 3 . ? 30.845 -50.237 32.523 1.00 98.44 ? 632 NAG A C5 1 HETATM 3979 C C6 . NAG I 3 . ? 31.111 -50.688 33.954 1.00 99.04 ? 632 NAG A C6 1 HETATM 3980 C C7 . NAG I 3 . ? 31.606 -47.754 28.106 1.00 81.51 ? 632 NAG A C7 1 HETATM 3981 C C8 . NAG I 3 . ? 31.029 -47.103 26.903 1.00 80.61 ? 632 NAG A C8 1 HETATM 3982 N N2 . NAG I 3 . ? 30.814 -48.602 28.756 1.00 86.67 ? 632 NAG A N2 1 HETATM 3983 O O3 . NAG I 3 . ? 30.848 -51.519 29.093 1.00 92.27 ? 632 NAG A O3 1 HETATM 3984 O O4 . NAG I 3 . ? 30.452 -52.434 31.693 1.00 107.14 ? 632 NAG A O4 1 HETATM 3985 O O5 . NAG I 3 . ? 31.539 -49.028 32.280 1.00 92.52 ? 632 NAG A O5 1 HETATM 3986 O O6 . NAG I 3 . ? 32.133 -51.635 33.900 1.00 105.21 ? 632 NAG A O6 1 HETATM 3987 O O7 . NAG I 3 . ? 32.755 -47.486 28.446 1.00 83.70 ? 632 NAG A O7 1 HETATM 3988 C C1 . BMA J 4 . ? 30.737 -53.721 31.103 1.00 113.25 ? 633 BMA A C1 1 HETATM 3989 C C2 . BMA J 4 . ? 30.188 -54.840 31.958 1.00 124.28 ? 633 BMA A C2 1 HETATM 3990 C C3 . BMA J 4 . ? 31.105 -56.066 31.962 1.00 126.82 ? 633 BMA A C3 1 HETATM 3991 C C4 . BMA J 4 . ? 31.292 -56.452 30.498 1.00 126.43 ? 633 BMA A C4 1 HETATM 3992 C C5 . BMA J 4 . ? 32.010 -55.340 29.734 1.00 122.44 ? 633 BMA A C5 1 HETATM 3993 C C6 . BMA J 4 . ? 32.046 -55.734 28.256 1.00 126.14 ? 633 BMA A C6 1 HETATM 3994 O O2 . BMA J 4 . ? 28.903 -55.142 31.393 1.00 131.73 ? 633 BMA A O2 1 HETATM 3995 O O3 . BMA J 4 . ? 30.585 -57.143 32.770 1.00 116.81 ? 633 BMA A O3 1 HETATM 3996 O O4 . BMA J 4 . ? 32.046 -57.664 30.409 1.00 132.72 ? 633 BMA A O4 1 HETATM 3997 O O5 . BMA J 4 . ? 31.434 -54.018 29.893 1.00 112.82 ? 633 BMA A O5 1 HETATM 3998 O O6 . BMA J 4 . ? 31.018 -55.027 27.549 1.00 132.01 ? 633 BMA A O6 1 HETATM 3999 C C1 . MAN K 5 . ? 30.591 -55.701 26.340 1.00 140.32 ? 637 MAN A C1 1 HETATM 4000 C C2 . MAN K 5 . ? 29.758 -54.819 25.362 1.00 134.84 ? 637 MAN A C2 1 HETATM 4001 C C3 . MAN K 5 . ? 28.667 -55.672 24.702 1.00 138.47 ? 637 MAN A C3 1 HETATM 4002 C C4 . MAN K 5 . ? 29.132 -57.111 24.409 1.00 143.56 ? 637 MAN A C4 1 HETATM 4003 C C5 . MAN K 5 . ? 29.672 -57.808 25.667 1.00 146.01 ? 637 MAN A C5 1 HETATM 4004 C C6 . MAN K 5 . ? 30.138 -59.241 25.422 1.00 144.68 ? 637 MAN A C6 1 HETATM 4005 O O2 . MAN K 5 . ? 30.555 -54.263 24.341 1.00 129.31 ? 637 MAN A O2 1 HETATM 4006 O O3 . MAN K 5 . ? 28.233 -55.046 23.511 1.00 132.07 ? 637 MAN A O3 1 HETATM 4007 O O4 . MAN K 5 . ? 28.067 -57.863 23.863 1.00 142.84 ? 637 MAN A O4 1 HETATM 4008 O O5 . MAN K 5 . ? 30.794 -57.095 26.137 1.00 148.63 ? 637 MAN A O5 1 HETATM 4009 O O6 . MAN K 5 . ? 30.769 -59.745 26.581 1.00 136.01 ? 637 MAN A O6 1 HETATM 4010 C C1 . NAG L 3 . ? 34.557 -8.748 -8.931 1.00 89.25 ? 641 NAG A C1 1 HETATM 4011 C C2 . NAG L 3 . ? 35.089 -7.644 -9.879 1.00 97.76 ? 641 NAG A C2 1 HETATM 4012 C C3 . NAG L 3 . ? 36.475 -7.148 -9.478 1.00 97.98 ? 641 NAG A C3 1 HETATM 4013 C C4 . NAG L 3 . ? 36.722 -7.144 -7.969 1.00 101.95 ? 641 NAG A C4 1 HETATM 4014 C C5 . NAG L 3 . ? 36.122 -8.371 -7.261 1.00 97.37 ? 641 NAG A C5 1 HETATM 4015 C C6 . NAG L 3 . ? 36.257 -8.421 -5.738 1.00 94.58 ? 641 NAG A C6 1 HETATM 4016 C C7 . NAG L 3 . ? 34.168 -7.589 -12.205 1.00 96.92 ? 641 NAG A C7 1 HETATM 4017 C C8 . NAG L 3 . ? 34.299 -8.017 -13.646 1.00 96.35 ? 641 NAG A C8 1 HETATM 4018 N N2 . NAG L 3 . ? 35.100 -8.007 -11.312 1.00 93.81 ? 641 NAG A N2 1 HETATM 4019 O O3 . NAG L 3 . ? 36.678 -5.853 -10.002 1.00 100.95 ? 641 NAG A O3 1 HETATM 4020 O O4 . NAG L 3 . ? 38.113 -7.288 -7.948 1.00 109.04 ? 641 NAG A O4 1 HETATM 4021 O O5 . NAG L 3 . ? 34.755 -8.462 -7.567 1.00 91.53 ? 641 NAG A O5 1 HETATM 4022 O O6 . NAG L 3 . ? 36.074 -9.777 -5.345 1.00 83.19 ? 641 NAG A O6 1 HETATM 4023 O O7 . NAG L 3 . ? 33.203 -6.878 -11.915 1.00 86.57 ? 641 NAG A O7 1 HETATM 4024 C C1 . NAG M 3 . ? 38.789 -6.260 -7.235 1.00 120.80 ? 642 NAG A C1 1 HETATM 4025 C C2 . NAG M 3 . ? 40.299 -6.457 -7.367 1.00 127.25 ? 642 NAG A C2 1 HETATM 4026 C C3 . NAG M 3 . ? 40.947 -5.596 -6.292 1.00 136.18 ? 642 NAG A C3 1 HETATM 4027 C C4 . NAG M 3 . ? 40.395 -4.157 -6.337 1.00 134.17 ? 642 NAG A C4 1 HETATM 4028 C C5 . NAG M 3 . ? 38.914 -3.979 -6.764 1.00 127.77 ? 642 NAG A C5 1 HETATM 4029 C C6 . NAG M 3 . ? 38.606 -2.559 -7.276 1.00 118.50 ? 642 NAG A C6 1 HETATM 4030 C C7 . NAG M 3 . ? 40.670 -8.744 -6.385 1.00 129.78 ? 642 NAG A C7 1 HETATM 4031 C C8 . NAG M 3 . ? 41.186 -10.130 -6.684 1.00 118.67 ? 642 NAG A C8 1 HETATM 4032 N N2 . NAG M 3 . ? 40.747 -7.859 -7.394 1.00 128.15 ? 642 NAG A N2 1 HETATM 4033 O O3 . NAG M 3 . ? 42.353 -5.614 -6.459 1.00 142.37 ? 642 NAG A O3 1 HETATM 4034 O O4 . NAG M 3 . ? 40.563 -3.599 -5.046 1.00 134.03 ? 642 NAG A O4 1 HETATM 4035 O O5 . NAG M 3 . ? 38.504 -4.962 -7.710 1.00 121.18 ? 642 NAG A O5 1 HETATM 4036 O O6 . NAG M 3 . ? 37.823 -2.574 -8.454 1.00 103.91 ? 642 NAG A O6 1 HETATM 4037 O O7 . NAG M 3 . ? 40.212 -8.491 -5.264 1.00 132.61 ? 642 NAG A O7 1 HETATM 4038 C C1 . BMA N 4 . ? 41.797 -2.862 -4.944 1.00 138.25 ? 643 BMA A C1 1 HETATM 4039 C C2 . BMA N 4 . ? 41.565 -1.645 -4.063 1.00 137.01 ? 643 BMA A C2 1 HETATM 4040 C C3 . BMA N 4 . ? 42.761 -0.720 -4.255 1.00 135.03 ? 643 BMA A C3 1 HETATM 4041 C C4 . BMA N 4 . ? 44.069 -1.475 -3.916 1.00 133.63 ? 643 BMA A C4 1 HETATM 4042 C C5 . BMA N 4 . ? 44.155 -2.864 -4.594 1.00 136.38 ? 643 BMA A C5 1 HETATM 4043 C C6 . BMA N 4 . ? 45.344 -3.741 -4.152 1.00 133.27 ? 643 BMA A C6 1 HETATM 4044 O O2 . BMA N 4 . ? 41.433 -1.983 -2.672 1.00 134.19 ? 643 BMA A O2 1 HETATM 4045 O O3 . BMA N 4 . ? 42.575 0.459 -3.457 1.00 136.04 ? 643 BMA A O3 1 HETATM 4046 O O4 . BMA N 4 . ? 45.195 -0.692 -4.338 1.00 124.85 ? 643 BMA A O4 1 HETATM 4047 O O5 . BMA N 4 . ? 42.922 -3.591 -4.431 1.00 140.61 ? 643 BMA A O5 1 HETATM 4048 O O6 . BMA N 4 . ? 45.417 -3.955 -2.736 1.00 127.53 ? 643 BMA A O6 1 HETATM 4049 C C1 . MAN O 5 . ? 41.485 1.302 -3.916 1.00 131.73 ? 644 MAN A C1 1 HETATM 4050 C C2 . MAN O 5 . ? 42.013 2.445 -4.775 1.00 130.50 ? 644 MAN A C2 1 HETATM 4051 C C3 . MAN O 5 . ? 42.779 3.439 -3.871 1.00 135.22 ? 644 MAN A C3 1 HETATM 4052 C C4 . MAN O 5 . ? 41.815 3.972 -2.789 1.00 137.48 ? 644 MAN A C4 1 HETATM 4053 C C5 . MAN O 5 . ? 41.421 2.724 -1.965 1.00 135.59 ? 644 MAN A C5 1 HETATM 4054 C C6 . MAN O 5 . ? 40.591 2.949 -0.698 1.00 133.38 ? 644 MAN A C6 1 HETATM 4055 O O2 . MAN O 5 . ? 40.876 3.002 -5.401 1.00 119.58 ? 644 MAN A O2 1 HETATM 4056 O O3 . MAN O 5 . ? 43.628 4.391 -4.530 1.00 133.11 ? 644 MAN A O3 1 HETATM 4057 O O4 . MAN O 5 . ? 42.365 5.029 -2.018 1.00 135.96 ? 644 MAN A O4 1 HETATM 4058 O O5 . MAN O 5 . ? 40.724 1.828 -2.832 1.00 137.96 ? 644 MAN A O5 1 HETATM 4059 O O6 . MAN O 5 . ? 40.472 4.316 -0.377 1.00 142.75 ? 644 MAN A O6 1 HETATM 4060 C C1 . MAN P 5 . ? 43.026 5.369 -5.382 1.00 129.46 ? 645 MAN A C1 1 HETATM 4061 C C2 . MAN P 5 . ? 43.829 5.474 -6.681 1.00 127.85 ? 645 MAN A C2 1 HETATM 4062 C C3 . MAN P 5 . ? 43.314 6.644 -7.527 1.00 132.23 ? 645 MAN A C3 1 HETATM 4063 C C4 . MAN P 5 . ? 42.015 7.190 -6.931 1.00 135.11 ? 645 MAN A C4 1 HETATM 4064 C C5 . MAN P 5 . ? 42.254 7.612 -5.468 1.00 145.35 ? 645 MAN A C5 1 HETATM 4065 C C6 . MAN P 5 . ? 40.986 7.862 -4.634 1.00 151.15 ? 645 MAN A C6 1 HETATM 4066 O O2 . MAN P 5 . ? 43.848 4.273 -7.421 1.00 107.69 ? 645 MAN A O2 1 HETATM 4067 O O3 . MAN P 5 . ? 43.152 6.253 -8.875 1.00 125.86 ? 645 MAN A O3 1 HETATM 4068 O O4 . MAN P 5 . ? 41.597 8.290 -7.690 1.00 131.16 ? 645 MAN A O4 1 HETATM 4069 O O5 . MAN P 5 . ? 43.053 6.654 -4.791 1.00 141.86 ? 645 MAN A O5 1 HETATM 4070 O O6 . MAN P 5 . ? 39.819 7.877 -5.431 1.00 155.39 ? 645 MAN A O6 1 HETATM 4071 S S . SO4 Q 6 . ? 47.921 -12.695 -45.830 1.00 135.97 ? 1327 SO4 A S 1 HETATM 4072 O O1 . SO4 Q 6 . ? 47.728 -11.692 -44.756 1.00 131.66 ? 1327 SO4 A O1 1 HETATM 4073 O O2 . SO4 Q 6 . ? 47.100 -13.886 -45.497 1.00 121.30 ? 1327 SO4 A O2 1 HETATM 4074 O O3 . SO4 Q 6 . ? 49.359 -13.062 -45.891 1.00 137.47 ? 1327 SO4 A O3 1 HETATM 4075 O O4 . SO4 Q 6 . ? 47.523 -12.135 -47.150 1.00 123.02 ? 1327 SO4 A O4 1 HETATM 4076 S S . SO4 R 6 . ? 31.498 -7.183 -54.797 1.00 91.45 ? 1176 SO4 B S 1 HETATM 4077 O O1 . SO4 R 6 . ? 32.305 -7.154 -53.532 1.00 81.42 ? 1176 SO4 B O1 1 HETATM 4078 O O2 . SO4 R 6 . ? 32.265 -7.786 -55.917 1.00 79.41 ? 1176 SO4 B O2 1 HETATM 4079 O O3 . SO4 R 6 . ? 31.222 -5.751 -55.075 1.00 78.25 ? 1176 SO4 B O3 1 HETATM 4080 O O4 . SO4 R 6 . ? 30.260 -8.018 -54.704 1.00 75.59 ? 1176 SO4 B O4 1 HETATM 4081 O O . HOH S 7 . ? 35.735 -13.447 -54.518 1.00 65.71 ? 2001 HOH A O 1 HETATM 4082 O O . HOH S 7 . ? 40.687 -13.341 -51.644 1.00 72.02 ? 2002 HOH A O 1 HETATM 4083 O O . HOH S 7 . ? 37.367 -10.221 -33.476 1.00 89.28 ? 2003 HOH A O 1 HETATM 4084 O O . HOH S 7 . ? 42.081 -14.292 -31.484 1.00 60.90 ? 2004 HOH A O 1 HETATM 4085 O O . HOH S 7 . ? 52.733 -19.019 -33.020 1.00 56.82 ? 2005 HOH A O 1 HETATM 4086 O O . HOH S 7 . ? 18.085 -14.903 4.417 1.00 56.89 ? 2006 HOH A O 1 HETATM 4087 O O . HOH S 7 . ? 43.009 -21.190 14.112 1.00 58.91 ? 2007 HOH A O 1 HETATM 4088 O O . HOH S 7 . ? 15.720 -32.033 17.723 1.00 66.86 ? 2008 HOH A O 1 HETATM 4089 O O . HOH S 7 . ? 15.837 -34.040 24.204 1.00 60.94 ? 2009 HOH A O 1 HETATM 4090 O O . HOH S 7 . ? 17.596 -38.822 22.668 1.00 59.14 ? 2010 HOH A O 1 HETATM 4091 O O . HOH S 7 . ? 16.163 -18.483 26.214 1.00 58.19 ? 2011 HOH A O 1 HETATM 4092 O O . HOH S 7 . ? 26.132 -40.129 19.411 1.00 58.68 ? 2012 HOH A O 1 HETATM 4093 O O . HOH S 7 . ? 30.835 -4.389 22.326 1.00 57.38 ? 2013 HOH A O 1 HETATM 4094 O O . HOH S 7 . ? 43.255 -13.221 -9.356 1.00 57.67 ? 2014 HOH A O 1 HETATM 4095 O O . HOH S 7 . ? 43.892 -12.696 -12.989 1.00 66.52 ? 2015 HOH A O 1 HETATM 4096 O O . HOH S 7 . ? 40.585 -17.986 -44.933 1.00 52.92 ? 2016 HOH A O 1 HETATM 4097 O O . HOH T 7 . ? 26.053 -29.991 -22.823 1.00 79.56 ? 2001 HOH B O 1 HETATM 4098 O O . HOH T 7 . ? 41.974 -15.536 6.521 1.00 73.44 ? 2002 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASN A 7 ? 1.8787 2.2428 1.0331 0.0920 -0.1206 0.2233 8 ASN A N 2 C CA . ASN A 7 ? 1.8438 2.1806 0.9825 0.0733 -0.1096 0.2051 8 ASN A CA 3 C C . ASN A 7 ? 1.7940 2.1438 0.9369 0.0498 -0.1152 0.1790 8 ASN A C 4 O O . ASN A 7 ? 1.6476 2.0134 0.8154 0.0460 -0.1229 0.1724 8 ASN A O 5 C CB . ASN A 7 ? 1.7656 2.0523 0.9171 0.0770 -0.0917 0.2052 8 ASN A CB 6 C CG . ASN A 7 ? 1.7035 1.9643 0.8313 0.0679 -0.0782 0.1984 8 ASN A CG 7 O OD1 . ASN A 7 ? 1.7196 1.9949 0.8181 0.0617 -0.0810 0.1966 8 ASN A OD1 8 N ND2 . ASN A 7 ? 1.6458 1.8704 0.7860 0.0672 -0.0632 0.1952 8 ASN A ND2 9 N N . ASN A 8 ? 1.7175 2.0577 0.8335 0.0343 -0.1102 0.1648 9 ASN A N 10 C CA . ASN A 8 ? 1.6555 1.9921 0.7663 0.0112 -0.1106 0.1382 9 ASN A CA 11 C C . ASN A 8 ? 1.6378 1.9289 0.7623 0.0060 -0.0943 0.1225 9 ASN A C 12 O O . ASN A 8 ? 1.6216 1.8939 0.7273 -0.0076 -0.0869 0.1041 9 ASN A O 13 C CB . ASN A 8 ? 1.6382 1.9850 0.7086 -0.0015 -0.1127 0.1305 9 ASN A CB 14 C CG . ASN A 8 ? 1.6449 1.9588 0.6950 0.0036 -0.0964 0.1332 9 ASN A CG 15 O OD1 . ASN A 8 ? 1.6125 1.8938 0.6795 0.0122 -0.0825 0.1362 9 ASN A OD1 16 N ND2 . ASN A 8 ? 1.5838 1.9083 0.5977 -0.0022 -0.0979 0.1324 9 ASN A ND2 17 N N . THR A 9 ? 1.5585 1.8321 0.7141 0.0180 -0.0883 0.1303 10 THR A N 18 C CA . THR A 9 ? 1.4803 1.7224 0.6556 0.0128 -0.0774 0.1156 10 THR A CA 19 C C . THR A 9 ? 1.3873 1.6370 0.5982 0.0197 -0.0836 0.1211 10 THR A C 20 O O . THR A 9 ? 1.3459 1.6273 0.5628 0.0263 -0.0965 0.1329 10 THR A O 21 C CB . THR A 9 ? 1.4848 1.6922 0.6591 0.0199 -0.0592 0.1193 10 THR A CB 22 O OG1 . THR A 9 ? 1.4611 1.6643 0.6491 0.0361 -0.0571 0.1409 10 THR A OG1 23 C CG2 . THR A 9 ? 1.5323 1.7354 0.6701 0.0149 -0.0526 0.1160 10 THR A CG2 24 N N . ALA A 10 ? 1.3335 1.5566 0.5674 0.0189 -0.0744 0.1126 11 ALA A N 25 C CA . ALA A 10 ? 1.2977 1.5246 0.5656 0.0252 -0.0788 0.1168 11 ALA A CA 26 C C . ALA A 10 ? 1.2632 1.4553 0.5522 0.0289 -0.0648 0.1137 11 ALA A C 27 O O . ALA A 10 ? 1.2434 1.4127 0.5236 0.0224 -0.0533 0.1019 11 ALA A O 28 C CB . ALA A 10 ? 1.2722 1.5208 0.5475 0.0112 -0.0904 0.1025 11 ALA A CB 29 N N . THR A 11 ? 1.2424 1.4319 0.5580 0.0401 -0.0655 0.1245 12 THR A N 30 C CA . THR A 11 ? 1.2510 1.4123 0.5900 0.0416 -0.0545 0.1203 12 THR A CA 31 C C . THR A 11 ? 1.2332 1.4027 0.5996 0.0392 -0.0617 0.1134 12 THR A C 32 O O . THR A 11 ? 1.2356 1.4287 0.6116 0.0458 -0.0727 0.1225 12 THR A O 33 C CB . THR A 11 ? 1.2539 1.3960 0.5983 0.0548 -0.0457 0.1381 12 THR A CB 34 O OG1 . THR A 11 ? 1.3227 1.4755 0.6802 0.0671 -0.0539 0.1522 12 THR A OG1 35 C CG2 . THR A 11 ? 1.2757 1.4134 0.5911 0.0575 -0.0402 0.1482 12 THR A CG2 36 N N . LEU A 12 ? 1.2114 1.3627 0.5891 0.0307 -0.0549 0.0978 13 LEU A N 37 C CA . LEU A 12 ? 1.1709 1.3255 0.5731 0.0268 -0.0597 0.0896 13 LEU A CA 38 C C . LEU A 12 ? 1.1537 1.2815 0.5781 0.0321 -0.0482 0.0899 13 LEU A C 39 O O . LEU A 12 ? 1.1299 1.2369 0.5499 0.0286 -0.0369 0.0816 13 LEU A O 40 C CB . LEU A 12 ? 1.1602 1.3161 0.5511 0.0098 -0.0625 0.0694 13 LEU A CB 41 C CG . LEU A 12 ? 1.1460 1.3006 0.5591 0.0030 -0.0658 0.0590 13 LEU A CG 42 C CD1 . LEU A 12 ? 1.1344 1.3176 0.5684 0.0095 -0.0775 0.0706 13 LEU A CD1 43 C CD2 . LEU A 12 ? 1.1550 1.3076 0.5495 -0.0155 -0.0687 0.0396 13 LEU A CD2 44 N N . CYS A 13 ? 1.1575 1.2876 0.6048 0.0411 -0.0511 0.0998 14 CYS A N 45 C CA . CYS A 13 ? 1.1664 1.2728 0.6334 0.0461 -0.0411 0.1024 14 CYS A CA 46 C C . CYS A 13 ? 1.1102 1.2162 0.6016 0.0422 -0.0436 0.0925 14 CYS A C 47 O O . CYS A 13 ? 1.0734 1.2001 0.5724 0.0408 -0.0545 0.0913 14 CYS A O 48 C CB . CYS A 13 ? 1.2359 1.3371 0.7059 0.0598 -0.0401 0.1218 14 CYS A CB 49 S SG . CYS A 13 ? 1.4177 1.5095 0.8582 0.0634 -0.0328 0.1341 14 CYS A SG 50 N N . LEU A 14 ? 1.0885 1.1732 0.5920 0.0401 -0.0334 0.0858 15 LEU A N 51 C CA . LEU A 14 ? 1.0566 1.1376 0.5825 0.0368 -0.0343 0.0768 15 LEU A CA 52 C C . LEU A 14 ? 1.0191 1.0894 0.5659 0.0453 -0.0304 0.0867 15 LEU A C 53 O O . LEU A 14 ? 0.9955 1.0529 0.5380 0.0500 -0.0226 0.0961 15 LEU A O 54 C CB . LEU A 14 ? 1.0618 1.1275 0.5843 0.0288 -0.0262 0.0610 15 LEU A CB 55 C CG . LEU A 14 ? 1.0917 1.1657 0.6013 0.0177 -0.0337 0.0475 15 LEU A CG 56 C CD1 . LEU A 14 ? 1.0899 1.1676 0.5688 0.0135 -0.0337 0.0449 15 LEU A CD1 57 C CD2 . LEU A 14 ? 1.1418 1.1982 0.6570 0.0115 -0.0283 0.0324 15 LEU A CD2 58 N N . GLY A 15 ? 1.0029 1.0784 0.5704 0.0461 -0.0357 0.0847 16 GLY A N 59 C CA . GLY A 15 ? 0.9998 1.0641 0.5860 0.0539 -0.0324 0.0931 16 GLY A CA 60 C C . GLY A 15 ? 0.9738 1.0424 0.5831 0.0528 -0.0366 0.0871 16 GLY A C 61 O O . GLY A 15 ? 1.0044 1.0848 0.6162 0.0448 -0.0422 0.0761 16 GLY A O 62 N N . HIS A 16 ? 0.9495 1.0062 0.5735 0.0598 -0.0331 0.0944 17 HIS A N 63 C CA . HIS A 16 ? 0.9413 1.0001 0.5877 0.0602 -0.0358 0.0904 17 HIS A CA 64 C C . HIS A 16 ? 0.9486 1.0051 0.6012 0.0730 -0.0373 0.1039 17 HIS A C 65 O O . HIS A 16 ? 0.9351 0.9814 0.5738 0.0809 -0.0342 0.1160 17 HIS A O 66 C CB . HIS A 16 ? 0.9336 0.9735 0.5925 0.0546 -0.0268 0.0824 17 HIS A CB 67 C CG . HIS A 16 ? 0.9236 0.9436 0.5790 0.0570 -0.0169 0.0902 17 HIS A CG 68 N ND1 . HIS A 16 ? 0.9903 0.9975 0.6539 0.0628 -0.0144 0.0988 17 HIS A ND1 69 C CD2 . HIS A 16 ? 0.9364 0.9477 0.5800 0.0531 -0.0086 0.0904 17 HIS A CD2 70 C CE1 . HIS A 16 ? 1.0075 0.9978 0.6634 0.0603 -0.0053 0.1037 17 HIS A CE1 71 N NE2 . HIS A 16 ? 0.9650 0.9598 0.6101 0.0546 -0.0017 0.0992 17 HIS A NE2 72 N N . HIS A 17 ? 0.9333 0.9959 0.6047 0.0755 -0.0408 0.1020 18 HIS A N 73 C CA . HIS A 17 ? 0.9642 1.0240 0.6393 0.0898 -0.0417 0.1144 18 HIS A CA 74 C C . HIS A 17 ? 0.9457 0.9733 0.6233 0.0920 -0.0316 0.1184 18 HIS A C 75 O O . HIS A 17 ? 0.9634 0.9757 0.6442 0.0818 -0.0245 0.1112 18 HIS A O 76 C CB . HIS A 17 ? 0.9979 1.0840 0.6893 0.0941 -0.0505 0.1133 18 HIS A CB 77 C CG . HIS A 17 ? 1.0058 1.0873 0.7183 0.0874 -0.0488 0.1033 18 HIS A CG 78 N ND1 . HIS A 17 ? 1.0200 1.0796 0.7377 0.0774 -0.0411 0.0942 18 HIS A ND1 79 C CD2 . HIS A 17 ? 0.9903 1.0898 0.7200 0.0896 -0.0540 0.1013 18 HIS A CD2 80 C CE1 . HIS A 17 ? 0.9941 1.0558 0.7302 0.0741 -0.0418 0.0874 18 HIS A CE1 81 N NE2 . HIS A 17 ? 0.9530 1.0380 0.6967 0.0807 -0.0494 0.0913 18 HIS A NE2 82 N N . ALA A 18 ? 1.0013 1.0190 0.6741 0.1060 -0.0309 0.1308 19 ALA A N 83 C CA . ALA A 18 ? 1.0364 1.0214 0.7085 0.1085 -0.0220 0.1354 19 ALA A CA 84 C C . ALA A 18 ? 1.0129 0.9975 0.6879 0.1255 -0.0244 0.1443 19 ALA A C 85 O O . ALA A 18 ? 1.0024 1.0112 0.6751 0.1376 -0.0320 0.1507 19 ALA A O 86 C CB . ALA A 18 ? 1.0774 1.0360 0.7259 0.1074 -0.0139 0.1441 19 ALA A CB 87 N N . VAL A 19 ? 1.0180 0.9766 0.6971 0.1269 -0.0179 0.1448 20 VAL A N 88 C CA . VAL A 19 ? 1.0601 1.0117 0.7372 0.1451 -0.0179 0.1540 20 VAL A CA 89 C C . VAL A 19 ? 1.1631 1.0684 0.8162 0.1501 -0.0075 0.1640 20 VAL A C 90 O O . VAL A 19 ? 1.1198 1.0022 0.7638 0.1357 -0.0005 0.1616 20 VAL A O 91 C CB . VAL A 19 ? 1.0030 0.9641 0.7045 0.1432 -0.0196 0.1452 20 VAL A CB 92 C CG1 . VAL A 19 ? 0.9630 0.9692 0.6835 0.1400 -0.0303 0.1378 20 VAL A CG1 93 C CG2 . VAL A 19 ? 0.9818 0.9221 0.6916 0.1256 -0.0129 0.1349 20 VAL A CG2 94 N N . ALA A 20 ? 1.2855 1.1769 0.9262 0.1705 -0.0059 0.1755 21 ALA A N 95 C CA . ALA A 20 ? 1.3324 1.1726 0.9443 0.1760 0.0048 0.1855 21 ALA A CA 96 C C . ALA A 20 ? 1.3392 1.1492 0.9562 0.1625 0.0127 0.1774 21 ALA A C 97 O O . ALA A 20 ? 1.2952 1.0750 0.8983 0.1469 0.0206 0.1763 21 ALA A O 98 C CB . ALA A 20 ? 1.3377 1.1691 0.9325 0.2045 0.0052 0.2002 21 ALA A CB 99 N N . ASN A 21 ? 1.3328 1.1544 0.9697 0.1677 0.0102 0.1717 22 ASN A N 100 C CA . ASN A 21 ? 1.3456 1.1395 0.9860 0.1578 0.0172 0.1649 22 ASN A CA 101 C C . ASN A 21 ? 1.1986 1.0220 0.8702 0.1388 0.0127 0.1497 22 ASN A C 102 O O . ASN A 21 ? 1.2002 1.0501 0.8947 0.1428 0.0070 0.1437 22 ASN A O 103 C CB . ASN A 21 ? 1.4196 1.1990 1.0557 0.1785 0.0196 0.1701 22 ASN A CB 104 C CG . ASN A 21 ? 1.5157 1.2519 1.1136 0.1977 0.0273 0.1855 22 ASN A CG 105 O OD1 . ASN A 21 ? 1.4471 1.1546 1.0198 0.1906 0.0328 0.1912 22 ASN A OD1 106 N ND2 . ASN A 21 ? 1.5780 1.3090 1.1702 0.2230 0.0285 0.1927 22 ASN A ND2 107 N N . GLY A 22 ? 1.1269 0.9462 0.7979 0.1190 0.0157 0.1442 23 GLY A N 108 C CA . GLY A 22 ? 1.0517 0.8949 0.7480 0.1021 0.0131 0.1309 23 GLY A CA 109 C C . GLY A 22 ? 1.0151 0.8409 0.7190 0.0918 0.0186 0.1244 23 GLY A C 110 O O . GLY A 22 ? 0.9923 0.7894 0.6837 0.0984 0.0233 0.1289 23 GLY A O 111 N N . THR A 23 ? 0.9642 0.8062 0.6862 0.0763 0.0182 0.1141 24 THR A N 112 C CA . THR A 23 ? 0.9895 0.8230 0.7222 0.0669 0.0218 0.1074 24 THR A CA 113 C C . THR A 23 ? 0.9661 0.8134 0.7113 0.0488 0.0239 0.0991 24 THR A C 114 O O . THR A 23 ? 0.9320 0.8044 0.6873 0.0461 0.0206 0.0949 24 THR A O 115 C CB . THR A 23 ? 1.0213 0.8693 0.7727 0.0772 0.0164 0.1031 24 THR A CB 116 O OG1 . THR A 23 ? 1.1081 0.9338 0.8582 0.0739 0.0215 0.1012 24 THR A OG1 117 C CG2 . THR A 23 ? 0.9833 0.8659 0.7597 0.0722 0.0100 0.0934 24 THR A CG2 118 N N . LEU A 24 ? 0.9641 0.7954 0.7073 0.0369 0.0298 0.0970 25 LEU A N 119 C CA . LEU A 24 ? 0.9544 0.7980 0.7047 0.0198 0.0334 0.0920 25 LEU A CA 120 C C . LEU A 24 ? 0.8772 0.7452 0.6534 0.0170 0.0303 0.0824 25 LEU A C 121 O O . LEU A 24 ? 0.8754 0.7382 0.6596 0.0204 0.0288 0.0795 25 LEU A O 122 C CB . LEU A 24 ? 1.0193 0.8348 0.7509 0.0053 0.0416 0.0954 25 LEU A CB 123 C CG . LEU A 24 ? 1.1003 0.9003 0.8077 -0.0039 0.0476 0.1029 25 LEU A CG 124 C CD1 . LEU A 24 ? 1.1286 0.9331 0.8278 0.0090 0.0444 0.1088 25 LEU A CD1 125 C CD2 . LEU A 24 ? 1.1405 0.8962 0.8199 -0.0111 0.0548 0.1084 25 LEU A CD2 126 N N . VAL A 25 ? 0.8439 0.7372 0.6312 0.0119 0.0300 0.0780 26 VAL A N 127 C CA . VAL A 25 ? 0.8022 0.7173 0.6111 0.0099 0.0282 0.0698 26 VAL A CA 128 C C . VAL A 25 ? 0.8050 0.7373 0.6171 -0.0011 0.0332 0.0683 26 VAL A C 129 O O . VAL A 25 ? 0.8933 0.8245 0.6928 -0.0074 0.0374 0.0729 26 VAL A O 130 C CB . VAL A 25 ? 0.7714 0.7037 0.5918 0.0204 0.0219 0.0649 26 VAL A CB 131 C CG1 . VAL A 25 ? 0.7649 0.6889 0.5833 0.0315 0.0163 0.0671 26 VAL A CG1 132 C CG2 . VAL A 25 ? 0.7540 0.6989 0.5685 0.0210 0.0224 0.0649 26 VAL A CG2 133 N N . LYS A 26 ? 0.8208 0.7710 0.6499 -0.0024 0.0329 0.0624 27 LYS A N 134 C CA . LYS A 26 ? 0.8434 0.8159 0.6785 -0.0105 0.0376 0.0613 27 LYS A CA 135 C C . LYS A 26 ? 0.7883 0.7810 0.6329 -0.0007 0.0363 0.0565 27 LYS A C 136 O O . LYS A 26 ? 0.7416 0.7323 0.5934 0.0082 0.0316 0.0518 27 LYS A O 137 C CB . LYS A 26 ? 0.8694 0.8464 0.7141 -0.0189 0.0389 0.0591 27 LYS A CB 138 C CG . LYS A 26 ? 0.9589 0.9645 0.8110 -0.0280 0.0436 0.0591 27 LYS A CG 139 C CD . LYS A 26 ? 1.0488 1.0635 0.9137 -0.0325 0.0428 0.0558 27 LYS A CD 140 C CE . LYS A 26 ? 1.0727 1.0962 0.9525 -0.0179 0.0388 0.0504 27 LYS A CE 141 N NZ . LYS A 26 ? 1.1150 1.1451 1.0062 -0.0208 0.0376 0.0476 27 LYS A NZ 142 N N . THR A 27 ? 0.7897 0.8003 0.6317 -0.0027 0.0411 0.0578 28 THR A N 143 C CA . THR A 27 ? 0.7823 0.8093 0.6290 0.0071 0.0419 0.0534 28 THR A CA 144 C C . THR A 27 ? 0.7805 0.8347 0.6358 0.0040 0.0479 0.0540 28 THR A C 145 O O . THR A 27 ? 0.8113 0.8729 0.6701 -0.0077 0.0501 0.0571 28 THR A O 146 C CB . THR A 27 ? 0.7755 0.8003 0.6078 0.0110 0.0430 0.0550 28 THR A CB 147 O OG1 . THR A 27 ? 0.8261 0.8615 0.6512 0.0019 0.0491 0.0608 28 THR A OG1 148 C CG2 . THR A 27 ? 0.7752 0.7778 0.5982 0.0132 0.0371 0.0565 28 THR A CG2 149 N N . MET A 28 ? 0.7863 0.8559 0.6433 0.0144 0.0509 0.0511 29 MET A N 150 C CA . MET A 28 ? 0.8028 0.9036 0.6672 0.0147 0.0573 0.0530 29 MET A CA 151 C C . MET A 28 ? 0.7928 0.9094 0.6495 0.0053 0.0629 0.0589 29 MET A C 152 O O . MET A 28 ? 0.7578 0.9056 0.6216 0.0004 0.0682 0.0622 29 MET A O 153 C CB . MET A 28 ? 0.9198 1.0280 0.7838 0.0317 0.0601 0.0486 29 MET A CB 154 C CG . MET A 28 ? 0.9951 1.0866 0.8638 0.0407 0.0556 0.0427 29 MET A CG 155 S SD . MET A 28 ? 1.0788 1.1839 0.9454 0.0596 0.0626 0.0399 29 MET A SD 156 C CE . MET A 28 ? 1.0556 1.1914 0.9415 0.0568 0.0642 0.0442 29 MET A CE 157 N N . SER A 29 ? 0.7529 0.8506 0.5950 0.0031 0.0618 0.0606 30 SER A N 158 C CA . SER A 29 ? 0.8004 0.9083 0.6317 -0.0053 0.0672 0.0664 30 SER A CA 159 C C . SER A 29 ? 0.8510 0.9448 0.6744 -0.0235 0.0670 0.0722 30 SER A C 160 O O . SER A 29 ? 0.9345 1.0423 0.7514 -0.0356 0.0727 0.0776 30 SER A O 161 C CB . SER A 29 ? 0.8171 0.9117 0.6334 0.0035 0.0668 0.0654 30 SER A CB 162 O OG . SER A 29 ? 0.7775 0.8842 0.5945 0.0185 0.0697 0.0605 30 SER A OG 163 N N . ASP A 30 ? 0.8842 0.9484 0.7053 -0.0252 0.0612 0.0713 31 ASP A N 164 C CA . ASP A 30 ? 0.8916 0.9325 0.6992 -0.0398 0.0617 0.0767 31 ASP A CA 165 C C . ASP A 30 ? 0.8575 0.8832 0.6713 -0.0443 0.0582 0.0745 31 ASP A C 166 O O . ASP A 30 ? 0.8055 0.8269 0.6301 -0.0330 0.0531 0.0694 31 ASP A O 167 C CB . ASP A 30 ? 0.9423 0.9545 0.7329 -0.0336 0.0588 0.0795 31 ASP A CB 168 C CG . ASP A 30 ? 1.0648 1.0890 0.8472 -0.0279 0.0615 0.0810 31 ASP A CG 169 O OD1 . ASP A 30 ? 1.0668 1.0952 0.8368 -0.0386 0.0673 0.0870 31 ASP A OD1 170 O OD2 . ASP A 30 ? 1.1695 1.1972 0.9559 -0.0136 0.0580 0.0760 31 ASP A OD2 171 N N . ASP A 31 ? 0.8798 0.8951 0.6841 -0.0620 0.0614 0.0782 32 ASP A N 172 C CA . ASP A 31 ? 0.8768 0.8733 0.6825 -0.0677 0.0591 0.0761 32 ASP A CA 173 C C . ASP A 31 ? 0.8863 0.8447 0.6809 -0.0565 0.0548 0.0768 32 ASP A C 174 O O . ASP A 31 ? 0.8820 0.8298 0.6846 -0.0489 0.0504 0.0729 32 ASP A O 175 C CB . ASP A 31 ? 0.8764 0.8698 0.6702 -0.0920 0.0646 0.0795 32 ASP A CB 176 C CG . ASP A 31 ? 0.9758 1.0152 0.7794 -0.1037 0.0693 0.0808 32 ASP A CG 177 O OD1 . ASP A 31 ? 0.9976 1.0693 0.8214 -0.1007 0.0680 0.0772 32 ASP A OD1 178 O OD2 . ASP A 31 ? 1.0622 1.1079 0.8531 -0.1151 0.0747 0.0861 32 ASP A OD2 179 N N . GLN A 32 ? 0.8924 0.8345 0.6697 -0.0538 0.0560 0.0821 33 GLN A N 180 C CA . GLN A 32 ? 0.9394 0.8480 0.7030 -0.0431 0.0528 0.0851 33 GLN A CA 181 C C . GLN A 32 ? 0.9182 0.8284 0.6729 -0.0335 0.0517 0.0889 33 GLN A C 182 O O . GLN A 32 ? 0.9027 0.8166 0.6455 -0.0421 0.0567 0.0934 33 GLN A O 183 C CB . GLN A 32 ? 1.0137 0.8856 0.7530 -0.0552 0.0577 0.0907 33 GLN A CB 184 C CG . GLN A 32 ? 1.0553 0.9175 0.7976 -0.0650 0.0587 0.0868 33 GLN A CG 185 C CD . GLN A 32 ? 1.1723 1.0197 0.9217 -0.0489 0.0533 0.0836 33 GLN A CD 186 O OE1 . GLN A 32 ? 1.0790 0.9495 0.8516 -0.0384 0.0478 0.0779 33 GLN A OE1 187 N NE2 . GLN A 32 ? 1.3187 1.1260 1.0462 -0.0465 0.0555 0.0878 33 GLN A NE2 188 N N . ILE A 33 ? 0.9226 0.8317 0.6822 -0.0169 0.0453 0.0871 34 ILE A N 189 C CA . ILE A 33 ? 0.9089 0.8196 0.6584 -0.0083 0.0435 0.0906 34 ILE A CA 190 C C . ILE A 33 ? 0.9125 0.8118 0.6607 0.0071 0.0364 0.0914 34 ILE A C 191 O O . ILE A 33 ? 0.8527 0.7574 0.6163 0.0135 0.0317 0.0860 34 ILE A O 192 C CB . ILE A 33 ? 0.9051 0.8466 0.6659 -0.0064 0.0436 0.0853 34 ILE A CB 193 C CG1 . ILE A 33 ? 0.9851 0.9275 0.7307 -0.0020 0.0437 0.0894 34 ILE A CG1 194 C CG2 . ILE A 33 ? 0.8575 0.8122 0.6368 0.0036 0.0377 0.0769 34 ILE A CG2 195 C CD1 . ILE A 33 ? 1.0007 0.9696 0.7534 0.0008 0.0450 0.0838 34 ILE A CD1 196 N N . GLU A 34 ? 0.9609 0.8466 0.6904 0.0131 0.0359 0.0989 35 GLU A N 197 C CA . GLU A 34 ? 0.9802 0.8559 0.7058 0.0281 0.0299 0.1023 35 GLU A CA 198 C C . GLU A 34 ? 0.9580 0.8588 0.6949 0.0374 0.0222 0.0974 35 GLU A C 199 O O . GLU A 34 ? 1.0372 0.9504 0.7689 0.0363 0.0221 0.0970 35 GLU A O 200 C CB . GLU A 34 ? 1.0686 0.9192 0.7672 0.0320 0.0328 0.1136 35 GLU A CB 201 C CG . GLU A 34 ? 1.1801 1.0201 0.8723 0.0498 0.0278 0.1194 35 GLU A CG 202 C CD . GLU A 34 ? 1.2378 1.0449 0.8993 0.0547 0.0328 0.1319 35 GLU A CD 203 O OE1 . GLU A 34 ? 1.3462 1.1216 0.9930 0.0469 0.0402 0.1348 35 GLU A OE1 204 O OE2 . GLU A 34 ? 1.1942 1.0058 0.8441 0.0656 0.0295 0.1387 35 GLU A OE2 205 N N . VAL A 35 ? 0.9245 0.8324 0.6753 0.0454 0.0162 0.0934 36 VAL A N 206 C CA . VAL A 35 ? 0.8835 0.8136 0.6426 0.0521 0.0084 0.0888 36 VAL A CA 207 C C . VAL A 35 ? 0.9226 0.8512 0.6780 0.0652 0.0028 0.0950 36 VAL A C 208 O O . VAL A 35 ? 0.9460 0.8552 0.6956 0.0706 0.0054 0.1010 36 VAL A O 209 C CB . VAL A 35 ? 0.8628 0.8079 0.6429 0.0486 0.0060 0.0779 36 VAL A CB 210 C CG1 . VAL A 35 ? 0.8583 0.8095 0.6420 0.0393 0.0114 0.0723 36 VAL A CG1 211 C CG2 . VAL A 35 ? 0.8799 0.8164 0.6713 0.0498 0.0063 0.0771 36 VAL A CG2 212 N N . THR A 36 ? 0.9474 0.8977 0.7055 0.0704 -0.0047 0.0932 37 THR A N 213 C CA . THR A 36 ? 0.8856 0.8445 0.6412 0.0837 -0.0109 0.0998 37 THR A CA 214 C C . THR A 36 ? 0.8736 0.8347 0.6441 0.0895 -0.0128 0.0984 37 THR A C 215 O O . THR A 36 ? 0.8988 0.8590 0.6649 0.1028 -0.0145 0.1063 37 THR A O 216 C CB . THR A 36 ? 0.8782 0.8657 0.6342 0.0841 -0.0193 0.0969 37 THR A CB 217 O OG1 . THR A 36 ? 0.8510 0.8517 0.6212 0.0738 -0.0215 0.0845 37 THR A OG1 218 C CG2 . THR A 36 ? 0.8961 0.8817 0.6331 0.0822 -0.0179 0.1009 37 THR A CG2 219 N N . ASN A 37 ? 0.9151 0.8792 0.7021 0.0807 -0.0120 0.0887 38 ASN A N 220 C CA . ASN A 37 ? 0.9235 0.8926 0.7256 0.0849 -0.0140 0.0863 38 ASN A CA 221 C C . ASN A 37 ? 0.8858 0.8514 0.7024 0.0739 -0.0109 0.0766 38 ASN A C 222 O O . ASN A 37 ? 0.8250 0.7926 0.6426 0.0643 -0.0092 0.0707 38 ASN A O 223 C CB . ASN A 37 ? 0.9497 0.9499 0.7604 0.0893 -0.0230 0.0848 38 ASN A CB 224 C CG . ASN A 37 ? 0.9817 0.9903 0.8045 0.0979 -0.0250 0.0863 38 ASN A CG 225 O OD1 . ASN A 37 ? 0.9133 0.9008 0.7341 0.1040 -0.0195 0.0900 38 ASN A OD1 226 N ND2 . ASN A 37 ? 1.1084 1.1480 0.9422 0.0975 -0.0326 0.0832 38 ASN A ND2 227 N N . ALA A 38 ? 0.8462 0.8067 0.6727 0.0766 -0.0098 0.0757 39 ALA A N 228 C CA . ALA A 38 ? 0.8179 0.7764 0.6577 0.0673 -0.0073 0.0674 39 ALA A CA 229 C C . ALA A 38 ? 0.8646 0.8257 0.7160 0.0727 -0.0086 0.0665 39 ALA A C 230 O O . ALA A 38 ? 0.8839 0.8417 0.7302 0.0844 -0.0091 0.0733 39 ALA A O 231 C CB . ALA A 38 ? 0.8279 0.7652 0.6603 0.0599 0.0003 0.0684 39 ALA A CB 232 N N . THR A 39 ? 0.8516 0.8181 0.7172 0.0656 -0.0086 0.0587 40 THR A N 233 C CA . THR A 39 ? 0.8545 0.8241 0.7313 0.0694 -0.0093 0.0573 40 THR A CA 234 C C . THR A 39 ? 0.7974 0.7516 0.6784 0.0624 -0.0038 0.0536 40 THR A C 235 O O . THR A 39 ? 0.8167 0.7692 0.6983 0.0533 -0.0015 0.0497 40 THR A O 236 C CB . THR A 39 ? 0.8552 0.8499 0.7453 0.0675 -0.0156 0.0520 40 THR A CB 237 O OG1 . THR A 39 ? 0.9858 0.9818 0.8879 0.0677 -0.0147 0.0492 40 THR A OG1 238 C CG2 . THR A 39 ? 0.8842 0.8837 0.7757 0.0567 -0.0166 0.0447 40 THR A CG2 239 N N . GLU A 40 ? 0.8119 0.7560 0.6939 0.0675 -0.0014 0.0552 41 GLU A N 240 C CA . GLU A 40 ? 0.7942 0.7266 0.6806 0.0607 0.0029 0.0512 41 GLU A CA 241 C C . GLU A 40 ? 0.7798 0.7301 0.6836 0.0554 0.0000 0.0439 41 GLU A C 242 O O . GLU A 40 ? 0.7821 0.7484 0.6949 0.0597 -0.0044 0.0427 41 GLU A O 243 C CB . GLU A 40 ? 0.8295 0.7469 0.7109 0.0691 0.0059 0.0543 41 GLU A CB 244 C CG . GLU A 40 ? 0.9360 0.8228 0.8019 0.0643 0.0131 0.0558 41 GLU A CG 245 C CD . GLU A 40 ? 0.9603 0.8458 0.8293 0.0482 0.0156 0.0508 41 GLU A CD 246 O OE1 . GLU A 40 ? 0.9269 0.8312 0.8122 0.0427 0.0130 0.0451 41 GLU A OE1 247 O OE2 . GLU A 40 ? 1.0073 0.8723 0.8604 0.0408 0.0206 0.0532 41 GLU A OE2 248 N N . LEU A 41 ? 0.7319 0.6794 0.6391 0.0461 0.0026 0.0398 42 LEU A N 249 C CA . LEU A 41 ? 0.7452 0.7043 0.6653 0.0415 0.0013 0.0337 42 LEU A CA 250 C C . LEU A 41 ? 0.7626 0.7160 0.6885 0.0393 0.0039 0.0317 42 LEU A C 251 O O . LEU A 41 ? 0.8091 0.7708 0.7448 0.0361 0.0031 0.0274 42 LEU A O 252 C CB . LEU A 41 ? 0.7757 0.7379 0.6946 0.0350 0.0032 0.0314 42 LEU A CB 253 C CG . LEU A 41 ? 0.7715 0.7438 0.6904 0.0352 0.0003 0.0284 42 LEU A CG 254 C CD1 . LEU A 41 ? 0.7392 0.7165 0.6538 0.0397 -0.0042 0.0304 42 LEU A CD1 255 C CD2 . LEU A 41 ? 0.8163 0.7887 0.7291 0.0321 0.0040 0.0286 42 LEU A CD2 256 N N . VAL A 42 ? 0.7039 0.6407 0.6210 0.0406 0.0074 0.0348 43 VAL A N 257 C CA . VAL A 42 ? 0.7011 0.6298 0.6198 0.0371 0.0104 0.0326 43 VAL A CA 258 C C . VAL A 42 ? 0.7386 0.6570 0.6527 0.0467 0.0115 0.0349 43 VAL A C 259 O O . VAL A 42 ? 0.8090 0.7113 0.7089 0.0531 0.0138 0.0398 43 VAL A O 260 C CB . VAL A 42 ? 0.7143 0.6283 0.6218 0.0273 0.0153 0.0334 43 VAL A CB 261 C CG1 . VAL A 42 ? 0.7820 0.6910 0.6912 0.0213 0.0178 0.0300 43 VAL A CG1 262 C CG2 . VAL A 42 ? 0.7245 0.6517 0.6353 0.0201 0.0151 0.0326 43 VAL A CG2 263 N N . GLN A 43 ? 0.7665 0.6933 0.6912 0.0486 0.0106 0.0318 44 GLN A N 264 C CA . GLN A 43 ? 0.7622 0.6821 0.6837 0.0586 0.0125 0.0335 44 GLN A CA 265 C C . GLN A 43 ? 0.7721 0.6661 0.6801 0.0543 0.0186 0.0324 44 GLN A C 266 O O . GLN A 43 ? 0.8027 0.6974 0.7149 0.0442 0.0196 0.0280 44 GLN A O 267 C CB . GLN A 43 ? 0.7992 0.7405 0.7373 0.0604 0.0094 0.0304 44 GLN A CB 268 C CG . GLN A 43 ? 0.8291 0.7729 0.7669 0.0735 0.0107 0.0330 44 GLN A CG 269 C CD . GLN A 43 ? 0.7884 0.7425 0.7238 0.0853 0.0082 0.0389 44 GLN A CD 270 O OE1 . GLN A 43 ? 0.9115 0.8855 0.8547 0.0823 0.0028 0.0390 44 GLN A OE1 271 N NE2 . GLN A 43 ? 0.7825 0.7224 0.7051 0.0991 0.0123 0.0441 44 GLN A NE2 272 N N . SER A 44 ? 0.8479 0.7181 0.7374 0.0621 0.0228 0.0369 45 SER A N 273 C CA . SER A 44 ? 0.8696 0.7063 0.7376 0.0566 0.0297 0.0365 45 SER A CA 274 C C . SER A 44 ? 0.8851 0.7054 0.7437 0.0688 0.0343 0.0368 45 SER A C 275 O O . SER A 44 ? 0.8744 0.6691 0.7175 0.0628 0.0399 0.0339 45 SER A O 276 C CB . SER A 44 ? 0.9353 0.7508 0.7836 0.0584 0.0323 0.0423 45 SER A CB 277 O OG . SER A 44 ? 1.0580 0.8465 0.8872 0.0437 0.0376 0.0410 45 SER A OG 278 N N . ILE A 45 ? 0.9594 0.7974 0.8274 0.0856 0.0319 0.0403 46 ILE A N 279 C CA . ILE A 45 ? 1.0461 0.8729 0.9043 0.1037 0.0365 0.0434 46 ILE A CA 280 C C . ILE A 45 ? 1.0570 0.9150 0.9377 0.1063 0.0333 0.0399 46 ILE A C 281 O O . ILE A 45 ? 0.9788 0.8709 0.8813 0.1029 0.0264 0.0392 46 ILE A O 282 C CB . ILE A 45 ? 1.1138 0.9457 0.9667 0.1224 0.0356 0.0521 46 ILE A CB 283 C CG1 . ILE A 45 ? 1.2589 1.0486 1.0809 0.1249 0.0418 0.0570 46 ILE A CG1 284 C CG2 . ILE A 45 ? 1.1055 0.9513 0.9621 0.1438 0.0372 0.0558 46 ILE A CG2 285 C CD1 . ILE A 45 ? 1.3109 1.1080 1.1285 0.1382 0.0392 0.0657 46 ILE A CD1 286 N N . SER A 46 ? 1.0441 0.8881 0.9170 0.1119 0.0390 0.0378 47 SER A N 287 C CA . SER A 46 ? 0.9960 0.8671 0.8872 0.1158 0.0375 0.0352 47 SER A CA 288 C C . SER A 46 ? 0.9729 0.8508 0.8605 0.1394 0.0408 0.0412 47 SER A C 289 O O . SER A 46 ? 0.9441 0.7938 0.8090 0.1532 0.0467 0.0460 47 SER A O 290 C CB . SER A 46 ? 1.0289 0.8827 0.9139 0.1058 0.0419 0.0285 47 SER A CB 291 O OG . SER A 46 ? 0.9918 0.8254 0.8603 0.1207 0.0497 0.0294 47 SER A OG 292 N N . MET A 47 ? 0.9773 0.8926 0.8860 0.1442 0.0376 0.0412 48 MET A N 293 C CA . MET A 47 ? 0.9888 0.9201 0.8975 0.1672 0.0407 0.0472 48 MET A CA 294 C C . MET A 47 ? 0.9568 0.8563 0.8444 0.1801 0.0511 0.0465 48 MET A C 295 O O . MET A 47 ? 1.0157 0.9186 0.8956 0.2036 0.0559 0.0528 48 MET A O 296 C CB . MET A 47 ? 0.9916 0.9739 0.9282 0.1654 0.0348 0.0468 48 MET A CB 297 C CG . MET A 47 ? 1.0055 1.0208 0.9572 0.1607 0.0259 0.0501 48 MET A CG 298 S SD . MET A 47 ? 1.0851 1.1466 1.0651 0.1442 0.0186 0.0456 48 MET A SD 299 C CE . MET A 47 ? 1.1133 1.1948 1.1018 0.1317 0.0089 0.0463 48 MET A CE 300 N N . GLY A 48 ? 0.9415 0.8111 0.8182 0.1658 0.0548 0.0392 49 GLY A N 301 C CA . GLY A 48 ? 0.9738 0.8068 0.8254 0.1755 0.0653 0.0371 49 GLY A CA 302 C C . GLY A 48 ? 0.9329 0.7883 0.7961 0.1820 0.0679 0.0346 49 GLY A C 303 O O . GLY A 48 ? 1.0058 0.8325 0.8493 0.1875 0.0765 0.0314 49 GLY A O 304 N N . LYS A 49 ? 0.8987 0.8044 0.7919 0.1807 0.0610 0.0359 50 LYS A N 305 C CA . LYS A 49 ? 0.8986 0.8312 0.8055 0.1841 0.0626 0.0340 50 LYS A CA 306 C C . LYS A 49 ? 0.8634 0.8301 0.7975 0.1627 0.0534 0.0303 50 LYS A C 307 O O . LYS A 49 ? 0.7765 0.7462 0.7176 0.1494 0.0465 0.0300 50 LYS A O 308 C CB . LYS A 49 ? 0.9962 0.9587 0.9083 0.2102 0.0656 0.0420 50 LYS A CB 309 C CG . LYS A 49 ? 1.0883 1.0841 1.0140 0.2171 0.0585 0.0498 50 LYS A CG 310 C CD . LYS A 49 ? 1.2342 1.2390 1.1502 0.2493 0.0649 0.0592 50 LYS A CD 311 C CE . LYS A 49 ? 1.2418 1.3050 1.1808 0.2575 0.0575 0.0673 50 LYS A CE 312 N NZ . LYS A 49 ? 1.1529 1.2122 1.0899 0.2526 0.0507 0.0708 50 LYS A NZ 313 N N . ILE A 50 ? 0.8996 0.8875 0.8460 0.1588 0.0541 0.0273 51 ILE A N 314 C CA . ILE A 50 ? 0.8276 0.8458 0.7970 0.1399 0.0465 0.0246 51 ILE A CA 315 C C . ILE A 50 ? 0.8076 0.8735 0.7961 0.1477 0.0440 0.0295 51 ILE A C 316 O O . ILE A 50 ? 0.8544 0.9357 0.8440 0.1613 0.0495 0.0315 51 ILE A O 317 C CB . ILE A 50 ? 0.8242 0.8342 0.7933 0.1279 0.0489 0.0182 51 ILE A CB 318 C CG1 . ILE A 50 ? 0.8154 0.7878 0.7696 0.1144 0.0489 0.0132 51 ILE A CG1 319 C CG2 . ILE A 50 ? 0.8085 0.8533 0.7998 0.1137 0.0428 0.0172 51 ILE A CG2 320 C CD1 . ILE A 50 ? 0.8011 0.7628 0.7509 0.1039 0.0516 0.0073 51 ILE A CD1 321 N N . CYS A 51 ? 0.7811 0.8718 0.7839 0.1385 0.0359 0.0314 52 CYS A N 322 C CA . CYS A 51 ? 0.7779 0.9173 0.7982 0.1424 0.0325 0.0361 52 CYS A CA 323 C C . CYS A 51 ? 0.7265 0.8931 0.7614 0.1301 0.0321 0.0333 52 CYS A C 324 O O . CYS A 51 ? 0.6681 0.8235 0.7052 0.1112 0.0297 0.0278 52 CYS A O 325 C CB . CYS A 51 ? 0.8372 0.9917 0.8645 0.1342 0.0241 0.0382 52 CYS A CB 326 S SG . CYS A 51 ? 0.9639 1.0944 0.9742 0.1522 0.0251 0.0438 52 CYS A SG 327 N N . ASN A 52 ? 0.6723 0.8758 0.7160 0.1422 0.0349 0.0378 53 ASN A N 328 C CA . ASN A 52 ? 0.6788 0.9120 0.7356 0.1319 0.0355 0.0362 53 ASN A CA 329 C C . ASN A 52 ? 0.6827 0.9474 0.7546 0.1100 0.0272 0.0358 53 ASN A C 330 O O . ASN A 52 ? 0.7696 1.0543 0.8502 0.0967 0.0274 0.0341 53 ASN A O 331 C CB . ASN A 52 ? 0.6585 0.9228 0.7191 0.1531 0.0423 0.0416 53 ASN A CB 332 C CG . ASN A 52 ? 0.6923 1.0104 0.7674 0.1603 0.0382 0.0491 53 ASN A CG 333 O OD1 . ASN A 52 ? 0.7092 1.0730 0.7977 0.1616 0.0396 0.0523 53 ASN A OD1 334 N ND2 . ASN A 52 ? 0.7321 1.0480 0.8045 0.1645 0.0330 0.0525 53 ASN A ND2 335 N N . LYS A 53 ? 0.6719 0.9390 0.7443 0.1056 0.0206 0.0372 54 LYS A N 336 C CA . LYS A 53 ? 0.6960 0.9813 0.7765 0.0823 0.0129 0.0352 54 LYS A CA 337 C C . LYS A 53 ? 0.6979 0.9467 0.7683 0.0749 0.0087 0.0319 54 LYS A C 338 O O . LYS A 53 ? 0.7055 0.9332 0.7670 0.0894 0.0100 0.0339 54 LYS A O 339 C CB . LYS A 53 ? 0.6885 1.0262 0.7807 0.0842 0.0085 0.0409 54 LYS A CB 340 C CG . LYS A 53 ? 0.7325 1.1151 0.8362 0.0943 0.0127 0.0457 54 LYS A CG 341 C CD . LYS A 53 ? 0.7937 1.1865 0.9035 0.0736 0.0139 0.0417 54 LYS A CD 342 C CE . LYS A 53 ? 0.7771 1.2169 0.8987 0.0827 0.0190 0.0464 54 LYS A CE 343 N NZ . LYS A 53 ? 0.7924 1.2292 0.9156 0.0633 0.0215 0.0419 54 LYS A NZ 344 N N . SER A 54 ? 0.6908 0.9317 0.7608 0.0533 0.0042 0.0274 55 SER A N 345 C CA . SER A 54 ? 0.7047 0.9725 0.7822 0.0339 0.0018 0.0259 55 SER A CA 346 C C . SER A 54 ? 0.6623 0.9118 0.7372 0.0225 0.0057 0.0218 55 SER A C 347 O O . SER A 54 ? 0.6604 0.9305 0.7398 0.0075 0.0053 0.0212 55 SER A O 348 C CB . SER A 54 ? 0.6892 0.9581 0.7631 0.0169 -0.0049 0.0238 55 SER A CB 349 O OG . SER A 54 ? 0.7305 0.9555 0.7928 0.0135 -0.0052 0.0197 55 SER A OG 350 N N . TYR A 55 ? 0.6527 0.8654 0.7196 0.0290 0.0094 0.0194 56 TYR A N 351 C CA . TYR A 55 ? 0.6249 0.8215 0.6887 0.0215 0.0132 0.0164 56 TYR A CA 352 C C . TYR A 55 ? 0.6528 0.8648 0.7214 0.0325 0.0193 0.0182 56 TYR A C 353 O O . TYR A 55 ? 0.7085 0.9300 0.7786 0.0505 0.0219 0.0212 56 TYR A O 354 C CB . TYR A 55 ? 0.6134 0.7690 0.6666 0.0235 0.0143 0.0134 56 TYR A CB 355 C CG . TYR A 55 ? 0.6735 0.8110 0.7205 0.0137 0.0098 0.0115 56 TYR A CG 356 C CD1 . TYR A 55 ? 0.6852 0.8177 0.7284 -0.0028 0.0082 0.0094 56 TYR A CD1 357 C CD2 . TYR A 55 ? 0.7199 0.8434 0.7625 0.0214 0.0077 0.0118 56 TYR A CD2 358 C CE1 . TYR A 55 ? 0.7161 0.8293 0.7508 -0.0099 0.0052 0.0075 56 TYR A CE1 359 C CE2 . TYR A 55 ? 0.7495 0.8576 0.7858 0.0133 0.0042 0.0100 56 TYR A CE2 360 C CZ . TYR A 55 ? 0.7611 0.8638 0.7933 -0.0014 0.0031 0.0077 56 TYR A CZ 361 O OH . TYR A 55 ? 0.7754 0.8605 0.7986 -0.0075 0.0007 0.0058 56 TYR A OH 362 N N . ARG A 56 ? 0.6863 0.8980 0.7549 0.0226 0.0221 0.0166 57 ARG A N 363 C CA . ARG A 56 ? 0.6887 0.9137 0.7604 0.0316 0.0285 0.0177 57 ARG A CA 364 C C . ARG A 56 ? 0.7138 0.9039 0.7747 0.0425 0.0328 0.0151 57 ARG A C 365 O O . ARG A 56 ? 0.6931 0.8564 0.7464 0.0336 0.0326 0.0120 57 ARG A O 366 C CB . ARG A 56 ? 0.6992 0.9380 0.7738 0.0151 0.0300 0.0173 57 ARG A CB 367 C CG . ARG A 56 ? 0.7438 1.0188 0.8270 0.0002 0.0263 0.0195 57 ARG A CG 368 C CD . ARG A 56 ? 0.7330 1.0409 0.8233 -0.0078 0.0303 0.0215 57 ARG A CD 369 N NE . ARG A 56 ? 0.7300 1.0116 0.8113 -0.0171 0.0337 0.0191 57 ARG A NE 370 C CZ . ARG A 56 ? 0.7157 1.0010 0.7973 -0.0106 0.0400 0.0195 57 ARG A CZ 371 N NH1 . ARG A 56 ? 0.7308 1.0443 0.8205 0.0059 0.0445 0.0219 57 ARG A NH1 372 N NH2 . ARG A 56 ? 0.7333 0.9932 0.8053 -0.0200 0.0421 0.0177 57 ARG A NH2 373 N N . ILE A 57 ? 0.6788 0.8694 0.7370 0.0618 0.0370 0.0167 58 ILE A N 374 C CA . ILE A 57 ? 0.7055 0.8605 0.7497 0.0714 0.0413 0.0138 58 ILE A CA 375 C C . ILE A 57 ? 0.6887 0.8509 0.7306 0.0795 0.0487 0.0134 58 ILE A C 376 O O . ILE A 57 ? 0.6578 0.8518 0.7076 0.0892 0.0517 0.0171 58 ILE A O 377 C CB . ILE A 57 ? 0.7641 0.9066 0.8006 0.0886 0.0424 0.0158 58 ILE A CB 378 C CG1 . ILE A 57 ? 0.7412 0.8854 0.7817 0.0832 0.0351 0.0174 58 ILE A CG1 379 C CG2 . ILE A 57 ? 0.7823 0.8831 0.8004 0.0937 0.0467 0.0120 58 ILE A CG2 380 C CD1 . ILE A 57 ? 0.7579 0.8775 0.7944 0.0671 0.0307 0.0136 58 ILE A CD1 381 N N . LEU A 58 ? 0.6829 0.8178 0.7134 0.0760 0.0519 0.0092 59 LEU A N 382 C CA . LEU A 58 ? 0.6425 0.7784 0.6670 0.0836 0.0596 0.0078 59 LEU A CA 383 C C . LEU A 58 ? 0.6581 0.7550 0.6622 0.0919 0.0644 0.0037 59 LEU A C 384 O O . LEU A 58 ? 0.6943 0.7648 0.6899 0.0816 0.0615 0.0002 59 LEU A O 385 C CB . LEU A 58 ? 0.6970 0.8393 0.7251 0.0678 0.0591 0.0063 59 LEU A CB 386 C CG . LEU A 58 ? 0.7435 0.8913 0.7666 0.0728 0.0668 0.0050 59 LEU A CG 387 C CD1 . LEU A 58 ? 0.7480 0.9330 0.7809 0.0852 0.0717 0.0091 59 LEU A CD1 388 C CD2 . LEU A 58 ? 0.7845 0.9348 0.8098 0.0550 0.0649 0.0043 59 LEU A CD2 389 N N . ASP A 59 ? 0.7001 0.7938 0.6945 0.1105 0.0721 0.0041 60 ASP A N 390 C CA . ASP A 59 ? 0.7116 0.7640 0.6818 0.1185 0.0778 0.0000 60 ASP A CA 391 C C . ASP A 59 ? 0.7131 0.7524 0.6715 0.1134 0.0831 -0.0050 60 ASP A C 392 O O . ASP A 59 ? 0.7221 0.7772 0.6808 0.1227 0.0895 -0.0045 60 ASP A O 393 C CB . ASP A 59 ? 0.7430 0.7931 0.7040 0.1433 0.0848 0.0035 60 ASP A CB 394 C CG . ASP A 59 ? 0.8174 0.8165 0.7483 0.1512 0.0908 -0.0003 60 ASP A CG 395 O OD1 . ASP A 59 ? 0.8203 0.7895 0.7372 0.1366 0.0905 -0.0066 60 ASP A OD1 396 O OD2 . ASP A 59 ? 0.8393 0.8283 0.7589 0.1718 0.0962 0.0030 60 ASP A OD2 397 N N . GLY A 60 ? 0.7699 0.7828 0.7177 0.0987 0.0803 -0.0098 61 GLY A N 398 C CA . GLY A 60 ? 0.7632 0.7611 0.6964 0.0930 0.0848 -0.0151 61 GLY A CA 399 C C . GLY A 60 ? 0.8217 0.7993 0.7327 0.1099 0.0958 -0.0181 61 GLY A C 400 O O . GLY A 60 ? 0.8061 0.7841 0.7093 0.1100 0.1013 -0.0211 61 GLY A O 401 N N . ARG A 61 ? 0.8525 0.8106 0.7513 0.1251 0.0998 -0.0169 62 ARG A N 402 C CA . ARG A 61 ? 0.9085 0.8347 0.7785 0.1416 0.1113 -0.0202 62 ARG A CA 403 C C . ARG A 61 ? 0.9404 0.8354 0.7879 0.1261 0.1134 -0.0286 62 ARG A C 404 O O . ARG A 61 ? 1.0478 0.9258 0.8905 0.1077 0.1072 -0.0316 62 ARG A O 405 C CB . ARG A 61 ? 0.9374 0.8922 0.8140 0.1620 0.1191 -0.0166 62 ARG A CB 406 C CG . ARG A 61 ? 1.0129 1.0067 0.9130 0.1758 0.1164 -0.0079 62 ARG A CG 407 C CD . ARG A 61 ? 1.1158 1.1379 1.0188 0.1993 0.1257 -0.0038 62 ARG A CD 408 N NE . ARG A 61 ? 1.1938 1.2740 1.1298 0.1994 0.1198 0.0037 62 ARG A NE 409 C CZ . ARG A 61 ? 1.2144 1.3166 1.1624 0.2112 0.1167 0.0107 62 ARG A CZ 410 N NH1 . ARG A 61 ? 1.2094 1.2795 1.1391 0.2268 0.1195 0.0122 62 ARG A NH1 411 N NH2 . ARG A 61 ? 1.1306 1.2878 1.1077 0.2064 0.1109 0.0166 62 ARG A NH2 412 N N . ASN A 62 ? 0.9210 0.8132 0.7560 0.1329 0.1218 -0.0320 63 ASN A N 413 C CA . ASN A 62 ? 1.0030 0.8663 0.8135 0.1193 0.1248 -0.0403 63 ASN A CA 414 C C . ASN A 62 ? 0.9522 0.8365 0.7778 0.0956 0.1158 -0.0416 63 ASN A C 415 O O . ASN A 62 ? 0.9299 0.7951 0.7362 0.0832 0.1173 -0.0481 63 ASN A O 416 C CB . ASN A 62 ? 1.0128 0.8688 0.8048 0.1363 0.1375 -0.0432 63 ASN A CB 417 C CG . ASN A 62 ? 1.0484 0.8621 0.8083 0.1571 0.1488 -0.0450 63 ASN A CG 418 O OD1 . ASN A 62 ? 1.0131 0.7931 0.7573 0.1540 0.1477 -0.0461 63 ASN A OD1 419 N ND2 . ASN A 62 ? 1.1610 0.9749 0.9089 0.1793 0.1607 -0.0451 63 ASN A ND2 420 N N . CYS A 63 ? 0.9002 0.8218 0.7574 0.0897 0.1070 -0.0354 64 CYS A N 421 C CA . CYS A 63 ? 0.9148 0.8577 0.7856 0.0722 0.1003 -0.0350 64 CYS A CA 422 C C . CYS A 63 ? 0.8256 0.7726 0.7091 0.0568 0.0894 -0.0327 64 CYS A C 423 O O . CYS A 63 ? 0.8445 0.7987 0.7415 0.0603 0.0852 -0.0286 64 CYS A O 424 C CB . CYS A 63 ? 0.9651 0.9480 0.8589 0.0777 0.1008 -0.0295 64 CYS A CB 425 S SG . CYS A 63 ? 1.1853 1.1721 1.0657 0.0917 0.1134 -0.0321 64 CYS A SG 426 N N . THR A 64 ? 0.8180 0.7626 0.6967 0.0406 0.0851 -0.0352 65 THR A N 427 C CA . THR A 64 ? 0.7586 0.7139 0.6511 0.0281 0.0755 -0.0319 65 THR A CA 428 C C . THR A 64 ? 0.7467 0.7333 0.6622 0.0277 0.0720 -0.0258 65 THR A C 429 O O . THR A 64 ? 0.7743 0.7743 0.6923 0.0322 0.0766 -0.0251 65 THR A O 430 C CB . THR A 64 ? 0.8108 0.7584 0.6903 0.0121 0.0722 -0.0355 65 THR A CB 431 O OG1 . THR A 64 ? 0.7638 0.7245 0.6421 0.0091 0.0738 -0.0357 65 THR A OG1 432 C CG2 . THR A 64 ? 0.8715 0.7857 0.7227 0.0083 0.0767 -0.0429 65 THR A CG2 433 N N . LEU A 65 ? 0.7249 0.7216 0.6550 0.0215 0.0645 -0.0215 66 LEU A N 434 C CA . LEU A 65 ? 0.7386 0.7581 0.6855 0.0185 0.0612 -0.0160 66 LEU A CA 435 C C . LEU A 65 ? 0.7835 0.8099 0.7255 0.0117 0.0621 -0.0157 66 LEU A C 436 O O . LEU A 65 ? 0.7390 0.7813 0.6883 0.0124 0.0644 -0.0127 66 LEU A O 437 C CB . LEU A 65 ? 0.7535 0.7750 0.7103 0.0128 0.0538 -0.0125 66 LEU A CB 438 C CG . LEU A 65 ? 0.7558 0.7934 0.7258 0.0089 0.0506 -0.0068 66 LEU A CG 439 C CD1 . LEU A 65 ? 0.7781 0.8316 0.7579 0.0134 0.0540 -0.0049 66 LEU A CD1 440 C CD2 . LEU A 65 ? 0.7703 0.8048 0.7468 0.0065 0.0446 -0.0043 66 LEU A CD2 441 N N . ILE A 66 ? 0.7748 0.7914 0.7041 0.0042 0.0603 -0.0184 67 ILE A N 442 C CA . ILE A 66 ? 0.7208 0.7450 0.6443 -0.0018 0.0606 -0.0175 67 ILE A CA 443 C C . ILE A 66 ? 0.7646 0.7899 0.6802 0.0032 0.0686 -0.0206 67 ILE A C 444 O O . ILE A 66 ? 0.7978 0.8373 0.7174 0.0020 0.0703 -0.0172 67 ILE A O 445 C CB . ILE A 66 ? 0.7158 0.7333 0.6257 -0.0111 0.0571 -0.0202 67 ILE A CB 446 C CG1 . ILE A 66 ? 0.7121 0.7356 0.6306 -0.0154 0.0494 -0.0155 67 ILE A CG1 447 C CG2 . ILE A 66 ? 0.7739 0.7997 0.6751 -0.0158 0.0584 -0.0197 67 ILE A CG2 448 C CD1 . ILE A 66 ? 0.6918 0.7293 0.6225 -0.0143 0.0465 -0.0076 67 ILE A CD1 449 N N . ASP A 67 ? 0.8034 0.8124 0.7060 0.0093 0.0742 -0.0267 68 ASP A N 450 C CA . ASP A 67 ? 0.8128 0.8211 0.7048 0.0162 0.0830 -0.0300 68 ASP A CA 451 C C . ASP A 67 ? 0.7867 0.8185 0.6966 0.0245 0.0860 -0.0248 68 ASP A C 452 O O . ASP A 67 ? 0.7496 0.7950 0.6590 0.0248 0.0905 -0.0237 68 ASP A O 453 C CB . ASP A 67 ? 0.8583 0.8398 0.7297 0.0241 0.0899 -0.0372 68 ASP A CB 454 C CG . ASP A 67 ? 0.8949 0.8520 0.7423 0.0125 0.0889 -0.0439 68 ASP A CG 455 O OD1 . ASP A 67 ? 0.9508 0.9155 0.7935 0.0010 0.0856 -0.0442 68 ASP A OD1 456 O OD2 . ASP A 67 ? 0.9854 0.9156 0.8169 0.0146 0.0916 -0.0487 68 ASP A OD2 457 N N . ALA A 68 ? 0.7346 0.7731 0.6596 0.0297 0.0835 -0.0214 69 ALA A N 458 C CA . ALA A 68 ? 0.7461 0.8113 0.6889 0.0349 0.0853 -0.0163 69 ALA A CA 459 C C . ALA A 68 ? 0.7593 0.8418 0.7105 0.0236 0.0826 -0.0114 69 ALA A C 460 O O . ALA A 68 ? 0.8042 0.9073 0.7611 0.0244 0.0872 -0.0089 69 ALA A O 461 C CB . ALA A 68 ? 0.7512 0.8214 0.7079 0.0389 0.0811 -0.0133 69 ALA A CB 462 N N . MET A 69 ? 0.7639 0.8376 0.7138 0.0135 0.0759 -0.0099 70 MET A N 463 C CA . MET A 69 ? 0.8077 0.8922 0.7624 0.0041 0.0738 -0.0044 70 MET A CA 464 C C . MET A 69 ? 0.7824 0.8678 0.7246 0.0006 0.0775 -0.0050 70 MET A C 465 O O . MET A 69 ? 0.7674 0.8665 0.7126 -0.0038 0.0800 -0.0007 70 MET A O 466 C CB . MET A 69 ? 0.8221 0.8980 0.7801 -0.0021 0.0660 -0.0011 70 MET A CB 467 C CG . MET A 69 ? 0.8768 0.9406 0.8234 -0.0059 0.0623 -0.0021 70 MET A CG 468 S SD . MET A 69 ? 0.9878 1.0556 0.9321 -0.0132 0.0600 0.0055 70 MET A SD 469 C CE . MET A 69 ? 0.9526 1.0134 0.8851 -0.0150 0.0551 0.0045 70 MET A CE 470 N N . LEU A 70 ? 0.7126 0.7840 0.6396 0.0014 0.0783 -0.0103 71 LEU A N 471 C CA . LEU A 70 ? 0.7455 0.8184 0.6588 -0.0019 0.0820 -0.0116 71 LEU A CA 472 C C . LEU A 70 ? 0.7653 0.8488 0.6766 0.0049 0.0913 -0.0135 71 LEU A C 473 O O . LEU A 70 ? 0.7776 0.8699 0.6830 0.0015 0.0949 -0.0119 71 LEU A O 474 C CB . LEU A 70 ? 0.7736 0.8293 0.6687 -0.0046 0.0807 -0.0178 71 LEU A CB 475 C CG . LEU A 70 ? 0.7680 0.8193 0.6623 -0.0124 0.0720 -0.0157 71 LEU A CG 476 C CD1 . LEU A 70 ? 0.7969 0.8342 0.6723 -0.0173 0.0716 -0.0230 71 LEU A CD1 477 C CD2 . LEU A 70 ? 0.7661 0.8295 0.6623 -0.0178 0.0688 -0.0082 71 LEU A CD2 478 N N . GLY A 71 ? 0.7609 0.8444 0.6763 0.0157 0.0955 -0.0163 72 GLY A N 479 C CA . GLY A 71 ? 0.7675 0.8641 0.6819 0.0255 0.1049 -0.0175 72 GLY A CA 480 C C . GLY A 71 ? 0.8039 0.8808 0.6956 0.0334 0.1121 -0.0255 72 GLY A C 481 O O . GLY A 71 ? 0.8831 0.9682 0.7670 0.0378 0.1200 -0.0268 72 GLY A O 482 N N . ASP A 72 ? 0.8265 0.8762 0.7056 0.0340 0.1098 -0.0309 73 ASP A N 483 C CA . ASP A 72 ? 0.8509 0.8747 0.7057 0.0433 0.1178 -0.0391 73 ASP A CA 484 C C . ASP A 72 ? 0.8803 0.9159 0.7397 0.0626 0.1274 -0.0380 73 ASP A C 485 O O . ASP A 72 ? 0.8973 0.9488 0.7757 0.0695 0.1255 -0.0330 73 ASP A O 486 C CB . ASP A 72 ? 0.8854 0.8809 0.7311 0.0408 0.1132 -0.0429 73 ASP A CB 487 C CG . ASP A 72 ? 0.9616 0.9210 0.7756 0.0458 0.1209 -0.0521 73 ASP A CG 488 O OD1 . ASP A 72 ? 1.0234 0.9777 0.8265 0.0612 0.1316 -0.0545 73 ASP A OD1 489 O OD2 . ASP A 72 ? 1.0379 0.9735 0.8368 0.0340 0.1166 -0.0567 73 ASP A OD2 490 N N . PRO A 73 ? 0.9401 0.9710 0.7818 0.0717 0.1379 -0.0422 74 PRO A N 491 C CA . PRO A 73 ? 0.9608 1.0099 0.8070 0.0918 0.1481 -0.0402 74 PRO A CA 492 C C . PRO A 73 ? 0.9322 0.9760 0.7822 0.1093 0.1504 -0.0387 74 PRO A C 493 O O . PRO A 73 ? 0.9348 1.0122 0.8043 0.1214 0.1533 -0.0325 74 PRO A O 494 C CB . PRO A 73 ? 1.0107 1.0385 0.8265 0.0988 0.1592 -0.0477 74 PRO A CB 495 C CG . PRO A 73 ? 1.0278 1.0521 0.8367 0.0780 0.1534 -0.0498 74 PRO A CG 496 C CD . PRO A 73 ? 0.9772 0.9943 0.7965 0.0623 0.1403 -0.0479 74 PRO A CD 497 N N . HIS A 74 ? 0.9381 0.9423 0.7693 0.1106 0.1495 -0.0439 75 HIS A N 498 C CA . HIS A 74 ? 0.9522 0.9494 0.7856 0.1281 0.1517 -0.0416 75 HIS A CA 499 C C . HIS A 74 ? 0.8885 0.9120 0.7531 0.1213 0.1405 -0.0341 75 HIS A C 500 O O . HIS A 74 ? 0.8454 0.8752 0.7179 0.1355 0.1413 -0.0302 75 HIS A O 501 C CB . HIS A 74 ? 0.9774 0.9202 0.7766 0.1328 0.1562 -0.0492 75 HIS A CB 502 C CG . HIS A 74 ? 0.9854 0.9057 0.7821 0.1131 0.1457 -0.0515 75 HIS A CG 503 N ND1 . HIS A 74 ? 1.0255 0.9520 0.8275 0.0899 0.1368 -0.0528 75 HIS A ND1 504 C CD2 . HIS A 74 ? 1.0253 0.9173 0.8130 0.1139 0.1433 -0.0525 75 HIS A CD2 505 C CE1 . HIS A 74 ? 0.9994 0.9062 0.7977 0.0775 0.1293 -0.0544 75 HIS A CE1 506 N NE2 . HIS A 74 ? 1.0213 0.9063 0.8108 0.0906 0.1330 -0.0545 75 HIS A NE2 507 N N . CYS A 75 ? 0.8809 0.9197 0.7613 0.1007 0.1308 -0.0318 76 CYS A N 508 C CA . CYS A 75 ? 0.8776 0.9418 0.7856 0.0931 0.1213 -0.0250 76 CYS A CA 509 C C . CYS A 75 ? 0.8545 0.9644 0.7862 0.0908 0.1212 -0.0182 76 CYS A C 510 O O . CYS A 75 ? 0.8142 0.9426 0.7655 0.0802 0.1133 -0.0133 76 CYS A O 511 C CB . CYS A 75 ? 0.9110 0.9605 0.8193 0.0728 0.1111 -0.0261 76 CYS A CB 512 S SG . CYS A 75 ? 1.0851 1.0866 0.9667 0.0703 0.1102 -0.0337 76 CYS A SG 513 N N . ASP A 76 ? 0.8734 1.0012 0.8022 0.1001 0.1305 -0.0181 77 ASP A N 514 C CA . ASP A 76 ? 0.8703 1.0437 0.8203 0.0962 0.1312 -0.0115 77 ASP A CA 515 C C . ASP A 76 ? 0.8328 1.0369 0.8056 0.1001 0.1273 -0.0052 77 ASP A C 516 O O . ASP A 76 ? 0.8622 1.0957 0.8531 0.0861 0.1226 -0.0001 77 ASP A O 517 C CB . ASP A 76 ? 0.8909 1.0819 0.8337 0.1093 0.1434 -0.0121 77 ASP A CB 518 C CG . ASP A 76 ? 0.9077 1.0829 0.8334 0.0989 0.1461 -0.0165 77 ASP A CG 519 O OD1 . ASP A 76 ? 0.8772 1.0323 0.7983 0.0812 0.1383 -0.0181 77 ASP A OD1 520 O OD2 . ASP A 76 ? 0.9519 1.1363 0.8680 0.1100 0.1567 -0.0180 77 ASP A OD2 521 N N . ALA A 77 ? 0.8043 1.0002 0.7742 0.1180 0.1292 -0.0054 78 ALA A N 522 C CA . ALA A 77 ? 0.7431 0.9698 0.7340 0.1222 0.1248 0.0008 78 ALA A CA 523 C C . ALA A 77 ? 0.7374 0.9627 0.7415 0.1012 0.1125 0.0026 78 ALA A C 524 O O . ALA A 77 ? 0.7195 0.9757 0.7420 0.0983 0.1080 0.0078 78 ALA A O 525 C CB . ALA A 77 ? 0.7307 0.9432 0.7123 0.1464 0.1291 0.0007 78 ALA A CB 526 N N . PHE A 78 ? 0.7296 0.9208 0.7235 0.0869 0.1072 -0.0013 79 PHE A N 527 C CA . PHE A 78 ? 0.7183 0.9035 0.7211 0.0700 0.0968 0.0001 79 PHE A CA 528 C C . PHE A 78 ? 0.7135 0.9138 0.7244 0.0503 0.0934 0.0030 79 PHE A C 529 O O . PHE A 78 ? 0.6775 0.8761 0.6957 0.0374 0.0858 0.0052 79 PHE A O 530 C CB . PHE A 78 ? 0.7557 0.8984 0.7435 0.0666 0.0926 -0.0046 79 PHE A CB 531 C CG . PHE A 78 ? 0.8447 0.9678 0.8238 0.0819 0.0943 -0.0067 79 PHE A CG 532 C CD1 . PHE A 78 ? 0.8802 1.0136 0.8711 0.0863 0.0899 -0.0032 79 PHE A CD1 533 C CD2 . PHE A 78 ? 0.9028 0.9963 0.8597 0.0919 0.1010 -0.0121 79 PHE A CD2 534 C CE1 . PHE A 78 ? 0.9578 1.0720 0.9390 0.1014 0.0920 -0.0041 79 PHE A CE1 535 C CE2 . PHE A 78 ? 0.9667 1.0376 0.9117 0.1061 0.1037 -0.0136 79 PHE A CE2 536 C CZ . PHE A 78 ? 0.9913 1.0726 0.9488 0.1115 0.0992 -0.0092 79 PHE A CZ 537 N N . GLN A 79 ? 0.7590 0.9705 0.7660 0.0476 0.0993 0.0032 80 GLN A N 538 C CA . GLN A 79 ? 0.7855 1.0112 0.7985 0.0288 0.0970 0.0071 80 GLN A CA 539 C C . GLN A 79 ? 0.8109 1.0703 0.8420 0.0243 0.0945 0.0118 80 GLN A C 540 O O . GLN A 79 ? 0.9525 1.2309 0.9917 0.0385 0.0962 0.0126 80 GLN A O 541 C CB . GLN A 79 ? 0.7845 1.0227 0.7914 0.0280 0.1048 0.0073 80 GLN A CB 542 C CG . GLN A 79 ? 0.7694 1.0501 0.7876 0.0363 0.1122 0.0104 80 GLN A CG 543 C CD . GLN A 79 ? 0.7998 1.0934 0.8111 0.0359 0.1207 0.0106 80 GLN A CD 544 O OE1 . GLN A 79 ? 0.7842 1.0947 0.7941 0.0523 0.1292 0.0097 80 GLN A OE1 545 N NE2 . GLN A 79 ? 0.8234 1.1085 0.8290 0.0182 0.1188 0.0122 80 GLN A NE2 546 N N . TYR A 80 ? 0.7075 0.9739 0.7432 0.0048 0.0904 0.0152 81 TYR A N 547 C CA . TYR A 80 ? 0.6603 0.9565 0.7108 -0.0033 0.0870 0.0189 81 TYR A CA 548 C C . TYR A 80 ? 0.6159 0.8996 0.6704 -0.0011 0.0795 0.0180 81 TYR A C 549 O O . TYR A 80 ? 0.6585 0.9594 0.7213 -0.0133 0.0752 0.0205 81 TYR A O 550 C CB . TYR A 80 ? 0.6447 0.9889 0.7079 0.0061 0.0931 0.0218 81 TYR A CB 551 C CG . TYR A 80 ? 0.6923 1.0542 0.7526 0.0051 0.1015 0.0230 81 TYR A CG 552 C CD1 . TYR A 80 ? 0.7024 1.0541 0.7549 -0.0143 0.1018 0.0243 81 TYR A CD1 553 C CD2 . TYR A 80 ? 0.7051 1.0929 0.7685 0.0249 0.1099 0.0233 81 TYR A CD2 554 C CE1 . TYR A 80 ? 0.6795 1.0478 0.7285 -0.0154 0.1098 0.0256 81 TYR A CE1 555 C CE2 . TYR A 80 ? 0.6763 1.0808 0.7362 0.0247 0.1182 0.0242 81 TYR A CE2 556 C CZ . TYR A 80 ? 0.6542 1.0494 0.7075 0.0036 0.1178 0.0253 81 TYR A CZ 557 O OH . TYR A 80 ? 0.6749 1.0869 0.7240 0.0028 0.1261 0.0265 81 TYR A OH 558 N N . GLU A 81 ? 0.6332 0.8874 0.6805 0.0122 0.0779 0.0144 82 GLU A N 559 C CA . GLU A 81 ? 0.6583 0.9043 0.7098 0.0158 0.0715 0.0140 82 GLU A CA 560 C C . GLU A 81 ? 0.6460 0.8644 0.6925 0.0019 0.0643 0.0133 82 GLU A C 561 O O . GLU A 81 ? 0.6705 0.8642 0.7067 -0.0052 0.0637 0.0123 82 GLU A O 562 C CB . GLU A 81 ? 0.6597 0.8878 0.7049 0.0362 0.0735 0.0110 82 GLU A CB 563 C CG . GLU A 81 ? 0.7134 0.9664 0.7615 0.0548 0.0813 0.0122 82 GLU A CG 564 C CD . GLU A 81 ? 0.7298 1.0298 0.7952 0.0562 0.0808 0.0175 82 GLU A CD 565 O OE1 . GLU A 81 ? 0.7036 1.0087 0.7756 0.0571 0.0750 0.0191 82 GLU A OE1 566 O OE2 . GLU A 81 ? 0.7489 1.0837 0.8212 0.0561 0.0862 0.0202 82 GLU A OE2 567 N N . SER A 82 ? 0.6619 0.8860 0.7151 -0.0001 0.0589 0.0142 83 SER A N 568 C CA . SER A 82 ? 0.6361 0.8327 0.6836 -0.0092 0.0525 0.0132 83 SER A CA 569 C C . SER A 82 ? 0.6079 0.8021 0.6595 0.0007 0.0486 0.0124 83 SER A C 570 O O . SER A 82 ? 0.6149 0.8316 0.6741 0.0126 0.0503 0.0136 83 SER A O 571 C CB . SER A 82 ? 0.6080 0.8111 0.6553 -0.0295 0.0502 0.0154 83 SER A CB 572 O OG . SER A 82 ? 0.5644 0.8064 0.6234 -0.0341 0.0504 0.0176 83 SER A OG 573 N N . TRP A 83 ? 0.6401 0.8075 0.6857 -0.0029 0.0437 0.0110 84 TRP A N 574 C CA . TRP A 83 ? 0.6307 0.7905 0.6775 0.0070 0.0404 0.0101 84 TRP A CA 575 C C . TRP A 83 ? 0.6257 0.7655 0.6681 -0.0017 0.0347 0.0094 84 TRP A C 576 O O . TRP A 83 ? 0.5645 0.6867 0.5992 -0.0113 0.0342 0.0092 84 TRP A O 577 C CB . TRP A 83 ? 0.6324 0.7711 0.6713 0.0204 0.0433 0.0076 84 TRP A CB 578 C CG . TRP A 83 ? 0.6096 0.7221 0.6385 0.0141 0.0427 0.0057 84 TRP A CG 579 C CD1 . TRP A 83 ? 0.6061 0.6971 0.6297 0.0110 0.0385 0.0048 84 TRP A CD1 580 C CD2 . TRP A 83 ? 0.6438 0.7524 0.6667 0.0111 0.0464 0.0050 84 TRP A CD2 581 N NE1 . TRP A 83 ? 0.6475 0.7238 0.6629 0.0069 0.0392 0.0041 84 TRP A NE1 582 C CE2 . TRP A 83 ? 0.6290 0.7148 0.6433 0.0065 0.0438 0.0042 84 TRP A CE2 583 C CE3 . TRP A 83 ? 0.6452 0.7694 0.6689 0.0123 0.0519 0.0054 84 TRP A CE3 584 C CZ2 . TRP A 83 ? 0.6659 0.7446 0.6724 0.0029 0.0459 0.0041 84 TRP A CZ2 585 C CZ3 . TRP A 83 ? 0.6673 0.7814 0.6823 0.0079 0.0543 0.0048 84 TRP A CZ3 586 C CH2 . TRP A 83 ? 0.6477 0.7394 0.6541 0.0033 0.0510 0.0042 84 TRP A CH2 587 N N . ASP A 84 ? 0.6369 0.7790 0.6825 0.0029 0.0310 0.0096 85 ASP A N 588 C CA . ASP A 84 ? 0.6182 0.7373 0.6579 -0.0005 0.0266 0.0084 85 ASP A CA 589 C C . ASP A 84 ? 0.6201 0.7164 0.6534 0.0095 0.0278 0.0066 85 ASP A C 590 O O . ASP A 84 ? 0.6559 0.7321 0.6821 0.0059 0.0267 0.0057 85 ASP A O 591 C CB . ASP A 84 ? 0.6443 0.7758 0.6889 -0.0002 0.0223 0.0092 85 ASP A CB 592 C CG . ASP A 84 ? 0.6980 0.8539 0.7473 -0.0139 0.0206 0.0105 85 ASP A CG 593 O OD1 . ASP A 84 ? 0.7504 0.9008 0.7945 -0.0274 0.0218 0.0101 85 ASP A OD1 594 O OD2 . ASP A 84 ? 0.6470 0.8281 0.7039 -0.0119 0.0180 0.0121 85 ASP A OD2 595 N N . LEU A 85 ? 0.6424 0.7419 0.6763 0.0221 0.0305 0.0064 86 LEU A N 596 C CA . LEU A 85 ? 0.6430 0.7186 0.6674 0.0288 0.0320 0.0042 86 LEU A CA 597 C C . LEU A 85 ? 0.6527 0.7277 0.6722 0.0380 0.0382 0.0029 86 LEU A C 598 O O . LEU A 85 ? 0.7516 0.8405 0.7742 0.0487 0.0411 0.0044 86 LEU A O 599 C CB . LEU A 85 ? 0.6309 0.6982 0.6536 0.0352 0.0295 0.0046 86 LEU A CB 600 C CG . LEU A 85 ? 0.6608 0.7019 0.6719 0.0372 0.0305 0.0023 86 LEU A CG 601 C CD1 . LEU A 85 ? 0.6777 0.7088 0.6866 0.0268 0.0274 0.0015 86 LEU A CD1 602 C CD2 . LEU A 85 ? 0.6719 0.7041 0.6790 0.0448 0.0296 0.0033 86 LEU A CD2 603 N N . PHE A 86 ? 0.6398 0.6995 0.6506 0.0347 0.0403 0.0004 87 PHE A N 604 C CA . PHE A 86 ? 0.6785 0.7319 0.6802 0.0420 0.0466 -0.0019 87 PHE A CA 605 C C . PHE A 86 ? 0.7114 0.7385 0.6991 0.0470 0.0480 -0.0047 87 PHE A C 606 O O . PHE A 86 ? 0.6952 0.7078 0.6780 0.0390 0.0445 -0.0060 87 PHE A O 607 C CB . PHE A 86 ? 0.6803 0.7317 0.6779 0.0336 0.0479 -0.0034 87 PHE A CB 608 C CG . PHE A 86 ? 0.6979 0.7465 0.6861 0.0400 0.0549 -0.0061 87 PHE A CG 609 C CD1 . PHE A 86 ? 0.7596 0.7842 0.7313 0.0440 0.0582 -0.0102 87 PHE A CD1 610 C CD2 . PHE A 86 ? 0.7361 0.8046 0.7297 0.0404 0.0585 -0.0047 87 PHE A CD2 611 C CE1 . PHE A 86 ? 0.7399 0.7580 0.6994 0.0495 0.0653 -0.0134 87 PHE A CE1 612 C CE2 . PHE A 86 ? 0.6862 0.7520 0.6701 0.0468 0.0655 -0.0073 87 PHE A CE2 613 C CZ . PHE A 86 ? 0.7470 0.7864 0.7132 0.0519 0.0690 -0.0119 87 PHE A CZ 614 N N . ILE A 87 ? 0.6894 0.7102 0.6690 0.0603 0.0537 -0.0053 88 ILE A N 615 C CA . ILE A 87 ? 0.6586 0.6491 0.6202 0.0650 0.0565 -0.0079 88 ILE A CA 616 C C . ILE A 87 ? 0.7016 0.6716 0.6443 0.0646 0.0628 -0.0129 88 ILE A C 617 O O . ILE A 87 ? 0.7172 0.6910 0.6555 0.0748 0.0693 -0.0135 88 ILE A O 618 C CB . ILE A 87 ? 0.6445 0.6348 0.6042 0.0816 0.0594 -0.0047 88 ILE A CB 619 C CG1 . ILE A 87 ? 0.6543 0.6675 0.6319 0.0806 0.0527 0.0000 88 ILE A CG1 620 C CG2 . ILE A 87 ? 0.6689 0.6224 0.6063 0.0857 0.0629 -0.0069 88 ILE A CG2 621 C CD1 . ILE A 87 ? 0.6485 0.6480 0.6250 0.0704 0.0467 -0.0004 88 ILE A CD1 622 N N . GLU A 88 ? 0.7247 0.6752 0.6557 0.0522 0.0610 -0.0166 89 GLU A N 623 C CA . GLU A 88 ? 0.8171 0.7441 0.7258 0.0484 0.0665 -0.0224 89 GLU A CA 624 C C . GLU A 88 ? 0.8213 0.7117 0.7051 0.0522 0.0715 -0.0254 89 GLU A C 625 O O . GLU A 88 ? 0.8709 0.7512 0.7527 0.0466 0.0679 -0.0245 89 GLU A O 626 C CB . GLU A 88 ? 0.8248 0.7550 0.7333 0.0307 0.0615 -0.0244 89 GLU A CB 627 C CG . GLU A 88 ? 0.8397 0.7962 0.7631 0.0269 0.0590 -0.0223 89 GLU A CG 628 C CD . GLU A 88 ? 0.8378 0.7969 0.7576 0.0123 0.0549 -0.0236 89 GLU A CD 629 O OE1 . GLU A 88 ? 0.8942 0.8439 0.8070 0.0034 0.0517 -0.0250 89 GLU A OE1 630 O OE2 . GLU A 88 ? 0.8774 0.8502 0.8010 0.0097 0.0550 -0.0228 89 GLU A OE2 631 N N . ARG A 89 ? 0.8062 0.6749 0.6687 0.0612 0.0804 -0.0291 90 ARG A N 632 C CA . ARG A 89 ? 0.8748 0.7015 0.7073 0.0662 0.0874 -0.0323 90 ARG A CA 633 C C . ARG A 89 ? 0.9216 0.7188 0.7271 0.0489 0.0898 -0.0400 90 ARG A C 634 O O . ARG A 89 ? 0.9666 0.7742 0.7726 0.0402 0.0893 -0.0434 90 ARG A O 635 C CB . ARG A 89 ? 0.9521 0.7695 0.7733 0.0894 0.0975 -0.0315 90 ARG A CB 636 C CG . ARG A 89 ? 0.9347 0.7901 0.7831 0.1064 0.0957 -0.0239 90 ARG A CG 637 C CD . ARG A 89 ? 0.9055 0.7689 0.7673 0.1065 0.0889 -0.0185 90 ARG A CD 638 N NE . ARG A 89 ? 0.8903 0.7799 0.7676 0.1260 0.0896 -0.0116 90 ARG A NE 639 C CZ . ARG A 89 ? 0.8648 0.7566 0.7471 0.1330 0.0864 -0.0064 90 ARG A CZ 640 N NH1 . ARG A 89 ? 0.8310 0.6986 0.7039 0.1224 0.0829 -0.0074 90 ARG A NH1 641 N NH2 . ARG A 89 ? 0.8644 0.7853 0.7608 0.1504 0.0867 0.0001 90 ARG A NH2 642 N N . SER A 90 ? 0.9702 0.7309 0.7510 0.0429 0.0924 -0.0427 91 SER A N 643 C CA . SER A 90 ? 1.0340 0.7625 0.7837 0.0242 0.0955 -0.0505 91 SER A CA 644 C C . SER A 90 ? 1.0418 0.7509 0.7683 0.0283 0.1043 -0.0568 91 SER A C 645 O O . SER A 90 ? 1.1024 0.8075 0.8164 0.0103 0.1034 -0.0628 91 SER A O 646 C CB . SER A 90 ? 1.1315 0.8148 0.8512 0.0218 0.1004 -0.0521 91 SER A CB 647 O OG . SER A 90 ? 1.2403 0.9380 0.9749 0.0092 0.0921 -0.0486 91 SER A OG 648 N N . ASN A 91 ? 1.0665 0.7634 0.7852 0.0525 0.1131 -0.0553 92 ASN A N 649 C CA . ASN A 91 ? 1.1300 0.8017 0.8209 0.0599 0.1238 -0.0615 92 ASN A CA 650 C C . ASN A 91 ? 1.0726 0.7837 0.7857 0.0644 0.1226 -0.0608 92 ASN A C 651 O O . ASN A 91 ? 1.0241 0.7233 0.7207 0.0769 0.1320 -0.0640 92 ASN A O 652 C CB . ASN A 91 ? 1.1887 0.8258 0.8562 0.0865 0.1357 -0.0599 92 ASN A CB 653 C CG . ASN A 91 ? 1.2136 0.8890 0.9134 0.1111 0.1340 -0.0500 92 ASN A CG 654 O OD1 . ASN A 91 ? 1.1653 0.8905 0.9039 0.1067 0.1243 -0.0451 92 ASN A OD1 655 N ND2 . ASN A 91 ? 1.2180 0.8699 0.9001 0.1370 0.1438 -0.0468 92 ASN A ND2 656 N N . ALA A 92 ? 1.0528 0.8090 0.8011 0.0546 0.1118 -0.0564 93 ALA A N 657 C CA . ALA A 92 ? 1.0435 0.8349 0.8108 0.0553 0.1103 -0.0554 93 ALA A CA 658 C C . ALA A 92 ? 1.0272 0.8035 0.7716 0.0390 0.1122 -0.0633 93 ALA A C 659 O O . ALA A 92 ? 1.0196 0.7764 0.7471 0.0200 0.1093 -0.0679 93 ALA A O 660 C CB . ALA A 92 ? 0.9931 0.8286 0.7979 0.0476 0.0988 -0.0487 93 ALA A CB 661 N N . PHE A 93 ? 1.0441 0.8317 0.7874 0.0455 0.1172 -0.0649 94 PHE A N 662 C CA . PHE A 93 ? 1.0767 0.8528 0.7980 0.0306 0.1192 -0.0724 94 PHE A CA 663 C C . PHE A 93 ? 1.0843 0.9002 0.8275 0.0309 0.1166 -0.0692 94 PHE A C 664 O O . PHE A 93 ? 1.0506 0.8947 0.8182 0.0457 0.1173 -0.0627 94 PHE A O 665 C CB . PHE A 93 ? 1.0838 0.8128 0.7633 0.0391 0.1326 -0.0806 94 PHE A CB 666 C CG . PHE A 93 ? 1.1411 0.8728 0.8225 0.0677 0.1427 -0.0775 94 PHE A CG 667 C CD1 . PHE A 93 ? 1.2019 0.9559 0.8887 0.0752 0.1472 -0.0777 94 PHE A CD1 668 C CD2 . PHE A 93 ? 1.1630 0.8788 0.8415 0.0880 0.1478 -0.0737 94 PHE A CD2 669 C CE1 . PHE A 93 ? 1.1919 0.9547 0.8821 0.1021 0.1568 -0.0742 94 PHE A CE1 670 C CE2 . PHE A 93 ? 1.1876 0.9124 0.8692 0.1162 0.1571 -0.0697 94 PHE A CE2 671 C CZ . PHE A 93 ? 1.1924 0.9422 0.8805 0.1231 0.1617 -0.0701 94 PHE A CZ 672 N N . SER A 94 ? 1.1174 0.9370 0.8514 0.0127 0.1132 -0.0733 95 SER A N 673 C CA . SER A 94 ? 1.0942 0.9427 0.8391 0.0118 0.1128 -0.0715 95 SER A CA 674 C C . SER A 94 ? 1.1025 0.9276 0.8181 0.0206 0.1251 -0.0787 95 SER A C 675 O O . SER A 94 ? 1.2074 0.9904 0.8886 0.0191 0.1319 -0.0868 95 SER A O 676 C CB . SER A 94 ? 1.0723 0.9369 0.8194 -0.0102 0.1033 -0.0717 95 SER A CB 677 O OG . SER A 94 ? 0.9798 0.8706 0.7558 -0.0145 0.0930 -0.0639 95 SER A OG 678 N N . ASN A 95 ? 1.0487 0.8988 0.7755 0.0299 0.1288 -0.0759 96 ASN A N 679 C CA . ASN A 95 ? 1.0781 0.9093 0.7778 0.0398 0.1412 -0.0823 96 ASN A CA 680 C C . ASN A 95 ? 1.0433 0.9049 0.7518 0.0367 0.1414 -0.0805 96 ASN A C 681 O O . ASN A 95 ? 1.1038 0.9654 0.8028 0.0506 0.1518 -0.0822 96 ASN A O 682 C CB . ASN A 95 ? 1.0991 0.9218 0.7983 0.0669 0.1517 -0.0803 96 ASN A CB 683 C CG . ASN A 95 ? 1.1459 0.9303 0.8052 0.0795 0.1665 -0.0888 96 ASN A CG 684 O OD1 . ASN A 95 ? 1.1652 0.9509 0.8238 0.1042 0.1766 -0.0864 96 ASN A OD1 685 N ND2 . ASN A 95 ? 1.1843 0.9355 0.8093 0.0631 0.1683 -0.0985 96 ASN A ND2 686 N N . CYS A 96 ? 1.0364 0.9236 0.7617 0.0196 0.1305 -0.0764 97 CYS A N 687 C CA . CYS A 96 ? 1.0328 0.9470 0.7645 0.0146 0.1298 -0.0738 97 CYS A CA 688 C C . CYS A 96 ? 1.0442 0.9505 0.7559 -0.0067 0.1241 -0.0789 97 CYS A C 689 O O . CYS A 96 ? 1.0625 0.9362 0.7460 -0.0148 0.1260 -0.0876 97 CYS A O 690 C CB . CYS A 96 ? 0.9991 0.9529 0.7684 0.0163 0.1229 -0.0625 97 CYS A CB 691 S SG . CYS A 96 ? 1.1069 1.0934 0.8848 0.0132 0.1241 -0.0572 97 CYS A SG 692 N N . TYR A 97 ? 1.0563 0.9916 0.7800 -0.0163 0.1177 -0.0736 98 TYR A N 693 C CA . TYR A 97 ? 1.0537 0.9885 0.7587 -0.0354 0.1122 -0.0775 98 TYR A CA 694 C C . TYR A 97 ? 0.9877 0.9243 0.6998 -0.0484 0.1013 -0.0757 98 TYR A C 695 O O . TYR A 97 ? 1.0023 0.9571 0.7426 -0.0443 0.0950 -0.0673 98 TYR A O 696 C CB . TYR A 97 ? 1.0636 1.0306 0.7795 -0.0387 0.1090 -0.0704 98 TYR A CB 697 C CG . TYR A 97 ? 1.1128 1.0804 0.8042 -0.0544 0.1066 -0.0752 98 TYR A CG 698 C CD1 . TYR A 97 ? 1.1191 1.1017 0.8126 -0.0699 0.0954 -0.0722 98 TYR A CD1 699 C CD2 . TYR A 97 ? 1.2206 1.1767 0.8863 -0.0533 0.1159 -0.0823 98 TYR A CD2 700 C CE1 . TYR A 97 ? 1.1084 1.0967 0.7797 -0.0849 0.0925 -0.0760 98 TYR A CE1 701 C CE2 . TYR A 97 ? 1.1845 1.1426 0.8265 -0.0690 0.1133 -0.0868 98 TYR A CE2 702 C CZ . TYR A 97 ? 1.1163 1.0915 0.7615 -0.0852 0.1012 -0.0835 98 TYR A CZ 703 O OH . TYR A 97 ? 1.1004 1.0823 0.7226 -0.1011 0.0980 -0.0875 98 TYR A OH 704 N N . PRO A 98 ? 0.9523 0.8708 0.6380 -0.0649 0.0993 -0.0838 99 PRO A N 705 C CA . PRO A 98 ? 0.9559 0.8783 0.6479 -0.0777 0.0898 -0.0823 99 PRO A CA 706 C C . PRO A 98 ? 0.9655 0.9290 0.6841 -0.0820 0.0785 -0.0713 99 PRO A C 707 O O . PRO A 98 ? 1.0067 0.9908 0.7234 -0.0862 0.0762 -0.0684 99 PRO A O 708 C CB . PRO A 98 ? 0.9761 0.8758 0.6311 -0.0975 0.0907 -0.0933 99 PRO A CB 709 C CG . PRO A 98 ? 0.9902 0.8909 0.6268 -0.0983 0.0960 -0.0973 99 PRO A CG 710 C CD . PRO A 98 ? 0.9956 0.8932 0.6443 -0.0749 0.1052 -0.0943 99 PRO A CD 711 N N . TYR A 99 ? 0.9570 0.9308 0.6987 -0.0793 0.0722 -0.0647 100 TYR A N 712 C CA . TYR A 99 ? 0.9337 0.9421 0.6997 -0.0789 0.0632 -0.0536 100 TYR A CA 713 C C . TYR A 99 ? 0.9097 0.9278 0.6844 -0.0871 0.0548 -0.0508 100 TYR A C 714 O O . TYR A 99 ? 0.9555 0.9540 0.7182 -0.0948 0.0556 -0.0575 100 TYR A O 715 C CB . TYR A 99 ? 0.8995 0.9167 0.6904 -0.0623 0.0653 -0.0454 100 TYR A CB 716 C CG . TYR A 99 ? 0.8930 0.8970 0.6976 -0.0526 0.0671 -0.0451 100 TYR A CG 717 C CD1 . TYR A 99 ? 0.9524 0.9334 0.7489 -0.0434 0.0761 -0.0511 100 TYR A CD1 718 C CD2 . TYR A 99 ? 0.8829 0.8982 0.7076 -0.0512 0.0603 -0.0384 100 TYR A CD2 719 C CE1 . TYR A 99 ? 0.9283 0.9000 0.7372 -0.0334 0.0775 -0.0499 100 TYR A CE1 720 C CE2 . TYR A 99 ? 0.8692 0.8736 0.7059 -0.0428 0.0617 -0.0381 100 TYR A CE2 721 C CZ . TYR A 99 ? 0.8853 0.8692 0.7144 -0.0342 0.0699 -0.0436 100 TYR A CZ 722 O OH . TYR A 99 ? 0.9249 0.9010 0.7655 -0.0251 0.0709 -0.0423 100 TYR A OH 723 N N . ASP A 100 ? 0.9386 0.9867 0.7317 -0.0855 0.0472 -0.0407 101 ASP A N 724 C CA . ASP A 100 ? 0.9816 1.0432 0.7880 -0.0886 0.0398 -0.0360 101 ASP A CA 725 C C . ASP A 100 ? 0.8729 0.9553 0.7032 -0.0759 0.0360 -0.0238 101 ASP A C 726 O O . ASP A 100 ? 0.8955 0.9876 0.7274 -0.0703 0.0370 -0.0187 101 ASP A O 727 C CB . ASP A 100 ? 1.0345 1.1148 0.8276 -0.1064 0.0334 -0.0378 101 ASP A CB 728 C CG . ASP A 100 ? 1.1139 1.2290 0.9120 -0.1055 0.0277 -0.0288 101 ASP A CG 729 O OD1 . ASP A 100 ? 1.0660 1.1817 0.8525 -0.1059 0.0305 -0.0300 101 ASP A OD1 730 O OD2 . ASP A 100 ? 1.2392 1.3808 1.0520 -0.1027 0.0209 -0.0199 101 ASP A OD2 731 N N . ILE A 101 ? 0.8547 0.9406 0.7010 -0.0714 0.0325 -0.0195 102 ILE A N 732 C CA . ILE A 101 ? 0.8194 0.9215 0.6839 -0.0601 0.0291 -0.0082 102 ILE A CA 733 C C . ILE A 101 ? 0.8257 0.9500 0.6972 -0.0624 0.0219 -0.0027 102 ILE A C 734 O O . ILE A 101 ? 0.8043 0.9238 0.6808 -0.0648 0.0205 -0.0050 102 ILE A O 735 C CB . ILE A 101 ? 0.8269 0.9126 0.7060 -0.0487 0.0326 -0.0067 102 ILE A CB 736 C CG1 . ILE A 101 ? 0.8467 0.9118 0.7197 -0.0467 0.0403 -0.0139 102 ILE A CG1 737 C CG2 . ILE A 101 ? 0.8389 0.9345 0.7296 -0.0386 0.0312 0.0038 102 ILE A CG2 738 C CD1 . ILE A 101 ? 0.8051 0.8635 0.6931 -0.0357 0.0437 -0.0104 102 ILE A CD1 739 N N . PRO A 102 ? 0.8638 1.0142 0.7352 -0.0605 0.0175 0.0054 103 PRO A N 740 C CA . PRO A 102 ? 0.8528 1.0276 0.7334 -0.0576 0.0116 0.0129 103 PRO A CA 741 C C . PRO A 102 ? 0.8257 0.9880 0.7219 -0.0443 0.0128 0.0175 103 PRO A C 742 O O . PRO A 102 ? 0.7536 0.9028 0.6539 -0.0337 0.0162 0.0218 103 PRO A O 743 C CB . PRO A 102 ? 0.8222 1.0231 0.6994 -0.0518 0.0085 0.0227 103 PRO A CB 744 C CG . PRO A 102 ? 0.8462 1.0417 0.7083 -0.0604 0.0110 0.0170 103 PRO A CG 745 C CD . PRO A 102 ? 0.8540 1.0145 0.7160 -0.0597 0.0181 0.0089 103 PRO A CD 746 N N . ASP A 103 ? 0.8192 0.9844 0.7223 -0.0466 0.0106 0.0161 104 ASP A N 747 C CA . ASP A 103 ? 0.8417 0.9942 0.7577 -0.0353 0.0118 0.0195 104 ASP A CA 748 C C . ASP A 103 ? 0.8083 0.9294 0.7260 -0.0338 0.0172 0.0132 104 ASP A C 749 O O . ASP A 103 ? 0.8583 0.9675 0.7837 -0.0239 0.0195 0.0169 104 ASP A O 750 C CB . ASP A 103 ? 0.9033 1.0656 0.8241 -0.0200 0.0110 0.0312 104 ASP A CB 751 C CG . ASP A 103 ? 1.0674 1.2263 0.9986 -0.0100 0.0105 0.0355 104 ASP A CG 752 O OD1 . ASP A 103 ? 1.0107 1.1700 0.9473 -0.0152 0.0092 0.0311 104 ASP A OD1 753 O OD2 . ASP A 103 ? 1.2595 1.4126 1.1911 0.0031 0.0121 0.0435 104 ASP A OD2 754 N N . TYR A 104 ? 0.7777 0.8862 0.6866 -0.0439 0.0196 0.0038 105 TYR A N 755 C CA . TYR A 104 ? 0.7725 0.8548 0.6820 -0.0417 0.0250 -0.0023 105 TYR A CA 756 C C . TYR A 104 ? 0.7287 0.8026 0.6517 -0.0336 0.0248 0.0000 105 TYR A C 757 O O . TYR A 104 ? 0.7285 0.7929 0.6587 -0.0259 0.0276 0.0016 105 TYR A O 758 C CB . TYR A 104 ? 0.7854 0.8536 0.6804 -0.0529 0.0272 -0.0122 105 TYR A CB 759 C CG . TYR A 104 ? 0.7653 0.8068 0.6580 -0.0485 0.0334 -0.0183 105 TYR A CG 760 C CD1 . TYR A 104 ? 0.7601 0.7891 0.6587 -0.0453 0.0337 -0.0194 105 TYR A CD1 761 C CD2 . TYR A 104 ? 0.8003 0.8304 0.6835 -0.0465 0.0392 -0.0225 105 TYR A CD2 762 C CE1 . TYR A 104 ? 0.7785 0.7854 0.6741 -0.0392 0.0394 -0.0239 105 TYR A CE1 763 C CE2 . TYR A 104 ? 0.7998 0.8087 0.6804 -0.0398 0.0455 -0.0272 105 TYR A CE2 764 C CZ . TYR A 104 ? 0.7469 0.7449 0.6339 -0.0357 0.0453 -0.0275 105 TYR A CZ 765 O OH . TYR A 104 ? 0.7906 0.7705 0.6746 -0.0271 0.0513 -0.0309 105 TYR A OH 766 N N . ALA A 105 ? 0.7592 0.8392 0.6853 -0.0366 0.0214 0.0004 106 ALA A N 767 C CA . ALA A 105 ? 0.7384 0.8104 0.6755 -0.0302 0.0211 0.0019 106 ALA A CA 768 C C . ALA A 105 ? 0.7154 0.7882 0.6620 -0.0189 0.0211 0.0090 106 ALA A C 769 O O . ALA A 105 ? 0.7557 0.8153 0.7088 -0.0141 0.0229 0.0084 106 ALA A O 770 C CB . ALA A 105 ? 0.7178 0.8022 0.6563 -0.0351 0.0172 0.0029 106 ALA A CB 771 N N . SER A 106 ? 0.7090 0.7961 0.6544 -0.0150 0.0193 0.0159 107 SER A N 772 C CA . SER A 106 ? 0.7233 0.8052 0.6725 -0.0048 0.0203 0.0228 107 SER A CA 773 C C . SER A 106 ? 0.7411 0.8080 0.6896 -0.0044 0.0245 0.0215 107 SER A C 774 O O . SER A 106 ? 0.6942 0.7492 0.6464 -0.0003 0.0261 0.0235 107 SER A O 775 C CB . SER A 106 ? 0.7423 0.8403 0.6867 0.0012 0.0185 0.0314 107 SER A CB 776 O OG . SER A 106 ? 0.7652 0.8801 0.7128 0.0042 0.0150 0.0347 107 SER A OG 777 N N . LEU A 107 ? 0.7286 0.7971 0.6714 -0.0098 0.0264 0.0178 108 LEU A N 778 C CA . LEU A 107 ? 0.7290 0.7884 0.6717 -0.0098 0.0309 0.0168 108 LEU A CA 779 C C . LEU A 107 ? 0.7070 0.7565 0.6566 -0.0101 0.0330 0.0110 108 LEU A C 780 O O . LEU A 107 ? 0.7286 0.7730 0.6834 -0.0084 0.0353 0.0121 108 LEU A O 781 C CB . LEU A 107 ? 0.7252 0.7904 0.6585 -0.0142 0.0331 0.0148 108 LEU A CB 782 C CG . LEU A 107 ? 0.6992 0.7590 0.6319 -0.0146 0.0385 0.0134 108 LEU A CG 783 C CD1 . LEU A 107 ? 0.6908 0.7457 0.6267 -0.0118 0.0399 0.0201 108 LEU A CD1 784 C CD2 . LEU A 107 ? 0.7380 0.8047 0.6593 -0.0184 0.0404 0.0123 108 LEU A CD2 785 N N . ARG A 108 ? 0.6632 0.7104 0.6116 -0.0127 0.0324 0.0052 109 ARG A N 786 C CA . ARG A 108 ? 0.6687 0.7061 0.6224 -0.0106 0.0342 0.0008 109 ARG A CA 787 C C . ARG A 108 ? 0.6838 0.7190 0.6477 -0.0066 0.0321 0.0044 109 ARG A C 788 O O . ARG A 108 ? 0.6734 0.7055 0.6436 -0.0041 0.0339 0.0034 109 ARG A O 789 C CB . ARG A 108 ? 0.6646 0.6956 0.6114 -0.0145 0.0338 -0.0047 109 ARG A CB 790 C CG . ARG A 108 ? 0.6872 0.7057 0.6364 -0.0104 0.0362 -0.0083 109 ARG A CG 791 C CD . ARG A 108 ? 0.6955 0.7022 0.6328 -0.0156 0.0365 -0.0136 109 ARG A CD 792 N NE . ARG A 108 ? 0.7027 0.6953 0.6404 -0.0101 0.0388 -0.0158 109 ARG A NE 793 C CZ . ARG A 108 ? 0.7175 0.7084 0.6618 -0.0085 0.0360 -0.0139 109 ARG A CZ 794 N NH1 . ARG A 108 ? 0.6820 0.6840 0.6336 -0.0115 0.0311 -0.0100 109 ARG A NH1 795 N NH2 . ARG A 108 ? 0.8338 0.8119 0.7764 -0.0025 0.0386 -0.0155 109 ARG A NH2 796 N N . SER A 109 ? 0.6238 0.6626 0.5883 -0.0057 0.0285 0.0086 110 SER A N 797 C CA . SER A 109 ? 0.6483 0.6828 0.6188 -0.0019 0.0269 0.0116 110 SER A CA 798 C C . SER A 109 ? 0.6551 0.6849 0.6253 -0.0009 0.0288 0.0155 110 SER A C 799 O O . SER A 109 ? 0.6580 0.6818 0.6325 -0.0009 0.0293 0.0152 110 SER A O 800 C CB . SER A 109 ? 0.6577 0.6981 0.6268 0.0005 0.0236 0.0154 110 SER A CB 801 O OG . SER A 109 ? 0.7575 0.7905 0.7288 0.0054 0.0232 0.0189 110 SER A OG 802 N N . ILE A 110 ? 0.6547 0.6868 0.6180 -0.0010 0.0300 0.0194 111 ILE A N 803 C CA . ILE A 110 ? 0.6601 0.6842 0.6195 -0.0019 0.0326 0.0234 111 ILE A CA 804 C C . ILE A 110 ? 0.6729 0.6983 0.6381 -0.0069 0.0355 0.0198 111 ILE A C 805 O O . ILE A 110 ? 0.7364 0.7558 0.7027 -0.0099 0.0364 0.0208 111 ILE A O 806 C CB . ILE A 110 ? 0.7020 0.7279 0.6514 -0.0009 0.0340 0.0287 111 ILE A CB 807 C CG1 . ILE A 110 ? 0.6740 0.7004 0.6174 0.0066 0.0316 0.0346 111 ILE A CG1 808 C CG2 . ILE A 110 ? 0.7513 0.7663 0.6942 -0.0045 0.0379 0.0322 111 ILE A CG2 809 C CD1 . ILE A 110 ? 0.6895 0.7250 0.6239 0.0091 0.0317 0.0397 111 ILE A CD1 810 N N . VAL A 111 ? 0.7037 0.7377 0.6715 -0.0078 0.0371 0.0154 112 VAL A N 811 C CA . VAL A 111 ? 0.7115 0.7518 0.6845 -0.0102 0.0407 0.0130 112 VAL A CA 812 C C . VAL A 111 ? 0.6878 0.7295 0.6702 -0.0083 0.0394 0.0102 112 VAL A C 813 O O . VAL A 111 ? 0.6826 0.7305 0.6706 -0.0112 0.0406 0.0107 112 VAL A O 814 C CB . VAL A 111 ? 0.7074 0.7545 0.6776 -0.0091 0.0440 0.0092 112 VAL A CB 815 C CG1 . VAL A 111 ? 0.7052 0.7627 0.6812 -0.0089 0.0485 0.0075 112 VAL A CG1 816 C CG2 . VAL A 111 ? 0.7793 0.8272 0.7396 -0.0114 0.0448 0.0121 112 VAL A CG2 817 N N . ALA A 112 ? 0.6746 0.7120 0.6577 -0.0043 0.0369 0.0075 113 ALA A N 818 C CA . ALA A 112 ? 0.6958 0.7330 0.6859 -0.0014 0.0355 0.0054 113 ALA A CA 819 C C . ALA A 112 ? 0.6671 0.7026 0.6606 -0.0045 0.0333 0.0082 113 ALA A C 820 O O . ALA A 112 ? 0.6421 0.6849 0.6420 -0.0057 0.0335 0.0078 113 ALA A O 821 C CB . ALA A 112 ? 0.6712 0.7007 0.6584 0.0012 0.0330 0.0032 113 ALA A CB 822 N N . SER A 113 ? 0.6916 0.7176 0.6789 -0.0056 0.0316 0.0113 114 SER A N 823 C CA . SER A 113 ? 0.7018 0.7188 0.6864 -0.0083 0.0304 0.0138 114 SER A CA 824 C C . SER A 113 ? 0.7155 0.7340 0.6986 -0.0165 0.0329 0.0152 114 SER A C 825 O O . SER A 113 ? 0.8152 0.8299 0.7976 -0.0217 0.0321 0.0151 114 SER A O 826 C CB . SER A 113 ? 0.6780 0.6840 0.6530 -0.0050 0.0298 0.0178 114 SER A CB 827 O OG . SER A 113 ? 0.7805 0.7723 0.7485 -0.0064 0.0300 0.0200 114 SER A OG 828 N N . SER A 114 ? 0.7415 0.7662 0.7226 -0.0190 0.0361 0.0162 115 SER A N 829 C CA . SER A 114 ? 0.7491 0.7772 0.7277 -0.0284 0.0391 0.0180 115 SER A CA 830 C C . SER A 114 ? 0.7226 0.7723 0.7133 -0.0316 0.0397 0.0154 115 SER A C 831 O O . SER A 114 ? 0.7326 0.7889 0.7230 -0.0420 0.0410 0.0165 115 SER A O 832 C CB . SER A 114 ? 0.8092 0.8388 0.7817 -0.0291 0.0425 0.0204 115 SER A CB 833 O OG . SER A 114 ? 0.9453 0.9680 0.9086 -0.0393 0.0455 0.0239 115 SER A OG 834 N N . GLY A 115 ? 0.6990 0.7603 0.6988 -0.0229 0.0392 0.0123 116 GLY A N 835 C CA . GLY A 115 ? 0.7328 0.8152 0.7438 -0.0216 0.0396 0.0108 116 GLY A CA 836 C C . GLY A 115 ? 0.7588 0.8643 0.7750 -0.0235 0.0442 0.0115 116 GLY A C 837 O O . GLY A 115 ? 0.6901 0.8189 0.7159 -0.0237 0.0446 0.0117 116 GLY A O 838 N N . THR A 116 ? 0.7756 0.8778 0.7854 -0.0243 0.0479 0.0123 117 THR A N 839 C CA . THR A 116 ? 0.7487 0.8731 0.7623 -0.0251 0.0533 0.0129 117 THR A CA 840 C C . THR A 116 ? 0.7231 0.8392 0.7281 -0.0211 0.0568 0.0122 117 THR A C 841 O O . THR A 116 ? 0.7465 0.8424 0.7417 -0.0224 0.0549 0.0130 117 THR A O 842 C CB . THR A 116 ? 0.7268 0.8634 0.7403 -0.0408 0.0547 0.0164 117 THR A CB 843 O OG1 . THR A 116 ? 0.6769 0.8396 0.6953 -0.0413 0.0603 0.0173 117 THR A OG1 844 C CG2 . THR A 116 ? 0.7311 0.8426 0.7300 -0.0500 0.0546 0.0191 117 THR A CG2 845 N N . VAL A 117 ? 0.7133 0.8470 0.7213 -0.0153 0.0620 0.0110 118 VAL A N 846 C CA . VAL A 117 ? 0.7006 0.8315 0.6996 -0.0141 0.0666 0.0104 118 VAL A CA 847 C C . VAL A 117 ? 0.6834 0.8367 0.6849 -0.0216 0.0718 0.0136 118 VAL A C 848 O O . VAL A 117 ? 0.6574 0.8172 0.6543 -0.0182 0.0772 0.0128 118 VAL A O 849 C CB . VAL A 117 ? 0.6685 0.7963 0.6638 -0.0005 0.0699 0.0056 118 VAL A CB 850 C CG1 . VAL A 117 ? 0.6992 0.8029 0.6883 0.0029 0.0652 0.0026 118 VAL A CG1 851 C CG2 . VAL A 117 ? 0.6795 0.8278 0.6847 0.0095 0.0732 0.0048 118 VAL A CG2 852 N N . GLU A 118 ? 0.7205 0.8857 0.7278 -0.0331 0.0706 0.0170 119 GLU A N 853 C CA . GLU A 118 ? 0.7275 0.9152 0.7363 -0.0438 0.0755 0.0204 119 GLU A CA 854 C C . GLU A 118 ? 0.7163 0.8845 0.7103 -0.0521 0.0771 0.0231 119 GLU A C 855 O O . GLU A 118 ? 0.7214 0.8624 0.7058 -0.0556 0.0731 0.0245 119 GLU A O 856 C CB . GLU A 118 ? 0.7640 0.9672 0.7799 -0.0577 0.0734 0.0229 119 GLU A CB 857 C CG . GLU A 118 ? 0.8009 1.0342 0.8330 -0.0495 0.0725 0.0216 119 GLU A CG 858 C CD . GLU A 118 ? 0.8068 1.0488 0.8439 -0.0631 0.0676 0.0229 119 GLU A CD 859 O OE1 . GLU A 118 ? 0.7782 0.9957 0.8115 -0.0628 0.0620 0.0213 119 GLU A OE1 860 O OE2 . GLU A 118 ? 0.7699 1.0447 0.8139 -0.0752 0.0696 0.0255 119 GLU A OE2 861 N N . PHE A 119 ? 0.7370 0.9206 0.7286 -0.0537 0.0833 0.0244 120 PHE A N 862 C CA . PHE A 119 ? 0.7263 0.8937 0.7028 -0.0574 0.0857 0.0269 120 PHE A CA 863 C C . PHE A 119 ? 0.7355 0.9141 0.7078 -0.0735 0.0902 0.0321 120 PHE A C 864 O O . PHE A 119 ? 0.7500 0.9597 0.7330 -0.0780 0.0938 0.0324 120 PHE A O 865 C CB . PHE A 119 ? 0.7415 0.9160 0.7158 -0.0450 0.0901 0.0233 120 PHE A CB 866 C CG . PHE A 119 ? 0.7773 0.9344 0.7354 -0.0464 0.0911 0.0249 120 PHE A CG 867 C CD1 . PHE A 119 ? 0.8020 0.9325 0.7508 -0.0449 0.0853 0.0256 120 PHE A CD1 868 C CD2 . PHE A 119 ? 0.7803 0.9505 0.7324 -0.0485 0.0979 0.0262 120 PHE A CD2 869 C CE1 . PHE A 119 ? 0.8253 0.9441 0.7594 -0.0453 0.0857 0.0280 120 PHE A CE1 870 C CE2 . PHE A 119 ? 0.8106 0.9662 0.7471 -0.0495 0.0984 0.0281 120 PHE A CE2 871 C CZ . PHE A 119 ? 0.8427 0.9733 0.7702 -0.0478 0.0920 0.0292 120 PHE A CZ 872 N N . THR A 120 ? 0.8050 0.9596 0.7608 -0.0822 0.0903 0.0366 121 THR A N 873 C CA . THR A 120 ? 0.8222 0.9829 0.7698 -0.0993 0.0955 0.0420 121 THR A CA 874 C C . THR A 120 ? 0.8395 0.9924 0.7729 -0.0978 0.0998 0.0451 121 THR A C 875 O O . THR A 120 ? 0.8798 1.0037 0.7978 -0.0953 0.0977 0.0481 121 THR A O 876 C CB . THR A 120 ? 0.8277 0.9637 0.7639 -0.1145 0.0932 0.0458 121 THR A CB 877 O OG1 . THR A 120 ? 0.8447 0.9896 0.7941 -0.1151 0.0886 0.0421 121 THR A OG1 878 C CG2 . THR A 120 ? 0.8830 1.0259 0.8093 -0.1361 0.0992 0.0510 121 THR A CG2 879 N N . ALA A 121 ? 0.8312 1.0131 0.7699 -0.0980 0.1061 0.0446 122 ALA A N 880 C CA . ALA A 121 ? 0.8706 1.0498 0.7967 -0.0957 0.1108 0.0467 122 ALA A CA 881 C C . ALA A 121 ? 0.8478 1.0068 0.7547 -0.1114 0.1130 0.0547 122 ALA A C 882 O O . ALA A 121 ? 0.8415 1.0018 0.7470 -0.1279 0.1145 0.0580 122 ALA A O 883 C CB . ALA A 121 ? 0.8750 1.0914 0.8106 -0.0924 0.1182 0.0444 122 ALA A CB 884 N N . GLU A 122 ? 0.8654 1.0046 0.7556 -0.1066 0.1133 0.0579 123 GLU A N 885 C CA . GLU A 122 ? 0.8927 1.0111 0.7610 -0.1189 0.1168 0.0666 123 GLU A CA 886 C C . GLU A 122 ? 0.8817 1.0125 0.7415 -0.1174 0.1226 0.0686 123 GLU A C 887 O O . GLU A 122 ? 0.8160 0.9600 0.6817 -0.1040 0.1221 0.0633 123 GLU A O 888 C CB . GLU A 122 ? 0.9157 0.9952 0.7679 -0.1131 0.1114 0.0709 123 GLU A CB 889 C CG . GLU A 122 ? 0.9379 0.9970 0.7887 -0.1211 0.1086 0.0717 123 GLU A CG 890 C CD . GLU A 122 ? 0.9346 0.9587 0.7723 -0.1104 0.1034 0.0749 123 GLU A CD 891 O OE1 . GLU A 122 ? 0.9333 0.9595 0.7744 -0.0946 0.0991 0.0732 123 GLU A OE1 892 O OE2 . GLU A 122 ? 0.9670 0.9621 0.7901 -0.1182 0.1038 0.0790 123 GLU A OE2 893 N N . GLY A 123 ? 0.9274 1.0526 0.7715 -0.1322 0.1286 0.0761 124 GLY A N 894 C CA . GLY A 123 ? 0.9614 1.0989 0.7955 -0.1329 0.1350 0.0791 124 GLY A CA 895 C C . GLY A 123 ? 0.9850 1.0951 0.7975 -0.1246 0.1328 0.0845 124 GLY A C 896 O O . GLY A 123 ? 1.0185 1.1107 0.8095 -0.1334 0.1368 0.0935 124 GLY A O 897 N N . PHE A 124 ? 0.9868 1.0941 0.8039 -0.1080 0.1264 0.0797 125 PHE A N 898 C CA . PHE A 124 ? 1.0077 1.1005 0.8070 -0.0990 0.1240 0.0841 125 PHE A CA 899 C C . PHE A 124 ? 1.0706 1.1827 0.8628 -0.1017 0.1309 0.0845 125 PHE A C 900 O O . PHE A 124 ? 1.0347 1.1739 0.8408 -0.1008 0.1347 0.0769 125 PHE A O 901 C CB . PHE A 124 ? 0.9871 1.0826 0.7950 -0.0837 0.1164 0.0769 125 PHE A CB 902 C CG . PHE A 124 ? 0.9801 1.0575 0.7937 -0.0785 0.1091 0.0768 125 PHE A CG 903 C CD1 . PHE A 124 ? 0.9649 1.0495 0.7983 -0.0786 0.1070 0.0696 125 PHE A CD1 904 C CD2 . PHE A 124 ? 0.9929 1.0478 0.7915 -0.0719 0.1046 0.0843 125 PHE A CD2 905 C CE1 . PHE A 124 ? 0.9565 1.0246 0.7942 -0.0738 0.1007 0.0694 125 PHE A CE1 906 C CE2 . PHE A 124 ? 0.9798 1.0195 0.7830 -0.0657 0.0986 0.0844 125 PHE A CE2 907 C CZ . PHE A 124 ? 0.9729 1.0185 0.7956 -0.0674 0.0967 0.0765 125 PHE A CZ 908 N N . THR A 125 ? 1.1314 1.2293 0.9008 -0.1037 0.1330 0.0937 126 THR A N 909 C CA . THR A 125 ? 1.1745 1.2890 0.9340 -0.1051 0.1390 0.0945 126 THR A CA 910 C C . THR A 125 ? 1.1284 1.2389 0.8761 -0.0924 0.1335 0.0947 126 THR A C 911 O O . THR A 125 ? 1.0999 1.1888 0.8336 -0.0875 0.1286 0.1028 126 THR A O 912 C CB . THR A 125 ? 1.2614 1.3661 1.0020 -0.1197 0.1468 0.1055 126 THR A CB 913 O OG1 . THR A 125 ? 1.3169 1.3899 1.0339 -0.1160 0.1438 0.1163 126 THR A OG1 914 C CG2 . THR A 125 ? 1.2347 1.3395 0.9842 -0.1358 0.1508 0.1063 126 THR A CG2 915 N N . TRP A 126 ? 1.0716 1.2032 0.8238 -0.0868 0.1344 0.0858 127 TRP A N 916 C CA . TRP A 126 ? 1.0906 1.2231 0.8310 -0.0777 0.1291 0.0842 127 TRP A CA 917 C C . TRP A 126 ? 1.1276 1.2728 0.8516 -0.0806 0.1357 0.0855 127 TRP A C 918 O O . TRP A 126 ? 1.1229 1.2856 0.8512 -0.0792 0.1400 0.0756 127 TRP A O 919 C CB . TRP A 126 ? 1.0451 1.1865 0.7994 -0.0699 0.1244 0.0710 127 TRP A CB 920 C CG . TRP A 126 ? 1.0146 1.1486 0.7876 -0.0677 0.1199 0.0677 127 TRP A CG 921 C CD1 . TRP A 126 ? 0.9923 1.1347 0.7837 -0.0695 0.1234 0.0616 127 TRP A CD1 922 C CD2 . TRP A 126 ? 0.9682 1.0871 0.7433 -0.0625 0.1110 0.0709 127 TRP A CD2 923 N NE1 . TRP A 126 ? 0.9771 1.1088 0.7811 -0.0667 0.1171 0.0604 127 TRP A NE1 924 C CE2 . TRP A 126 ? 0.9728 1.0892 0.7670 -0.0625 0.1097 0.0660 127 TRP A CE2 925 C CE3 . TRP A 126 ? 0.9643 1.0739 0.7267 -0.0570 0.1043 0.0781 127 TRP A CE3 926 C CZ2 . TRP A 126 ? 0.9610 1.0639 0.7615 -0.0579 0.1023 0.0673 127 TRP A CZ2 927 C CZ3 . TRP A 126 ? 0.9449 1.0433 0.7144 -0.0512 0.0972 0.0799 127 TRP A CZ3 928 C CH2 . TRP A 126 ? 0.9573 1.0513 0.7453 -0.0520 0.0964 0.0742 127 TRP A CH2 929 N N . THR A 127 ? 1.1285 1.2635 0.8319 -0.0837 0.1370 0.0977 128 THR A N 930 C CA . THR A 127 ? 1.1562 1.3032 0.8430 -0.0878 0.1442 0.1000 128 THR A CA 931 C C . THR A 127 ? 1.1446 1.2995 0.8184 -0.0803 0.1390 0.0965 128 THR A C 932 O O . THR A 127 ? 1.1040 1.2507 0.7714 -0.0735 0.1301 0.1009 128 THR A O 933 C CB . THR A 127 ? 1.1571 1.2897 0.8244 -0.0961 0.1496 0.1151 128 THR A CB 934 O OG1 . THR A 127 ? 1.1322 1.2397 0.7885 -0.0904 0.1428 0.1255 128 THR A OG1 935 C CG2 . THR A 127 ? 1.1302 1.2645 0.8072 -0.1099 0.1583 0.1164 128 THR A CG2 936 N N . GLY A 128 ? 1.1390 1.3114 0.8086 -0.0818 0.1452 0.0883 129 GLY A N 937 C CA . GLY A 128 ? 1.1563 1.3373 0.8094 -0.0781 0.1422 0.0837 129 GLY A CA 938 C C . GLY A 128 ? 1.1407 1.3254 0.8017 -0.0730 0.1368 0.0691 129 GLY A C 939 O O . GLY A 128 ? 1.1211 1.3109 0.7672 -0.0720 0.1323 0.0649 129 GLY A O 940 N N . VAL A 129 ? 1.1079 1.2897 0.7903 -0.0710 0.1372 0.0616 130 VAL A N 941 C CA . VAL A 129 ? 1.0743 1.2554 0.7629 -0.0665 0.1338 0.0474 130 VAL A CA 942 C C . VAL A 129 ? 1.0588 1.2447 0.7610 -0.0640 0.1427 0.0380 130 VAL A C 943 O O . VAL A 129 ? 1.0650 1.2571 0.7790 -0.0661 0.1488 0.0431 130 VAL A O 944 C CB . VAL A 129 ? 1.0321 1.2033 0.7337 -0.0634 0.1231 0.0482 130 VAL A CB 945 C CG1 . VAL A 129 ? 1.0084 1.1799 0.6963 -0.0630 0.1136 0.0557 130 VAL A CG1 946 C CG2 . VAL A 129 ? 1.0428 1.2068 0.7628 -0.0636 0.1238 0.0554 130 VAL A CG2 947 N N . THR A 130 ? 1.0787 1.2618 0.7783 -0.0595 0.1436 0.0245 131 THR A N 948 C CA . THR A 130 ? 1.0924 1.2787 0.8048 -0.0532 0.1518 0.0161 131 THR A CA 949 C C . THR A 130 ? 1.0401 1.2176 0.7730 -0.0489 0.1462 0.0129 131 THR A C 950 O O . THR A 130 ? 1.0492 1.2139 0.7798 -0.0484 0.1379 0.0082 131 THR A O 951 C CB . THR A 130 ? 1.1960 1.3810 0.8906 -0.0482 0.1600 0.0034 131 THR A CB 952 O OG1 . THR A 130 ? 1.2465 1.4352 0.9546 -0.0388 0.1681 -0.0027 131 THR A OG1 953 C CG2 . THR A 130 ? 1.2455 1.4136 0.9241 -0.0492 0.1532 -0.0062 131 THR A CG2 954 N N . GLN A 131 ? 0.9696 1.1565 0.7222 -0.0466 0.1509 0.0156 132 GLN A N 955 C CA . GLN A 131 ? 0.9403 1.1218 0.7133 -0.0430 0.1462 0.0141 132 GLN A CA 956 C C . GLN A 131 ? 0.9298 1.1089 0.7051 -0.0322 0.1514 0.0023 132 GLN A C 957 O O . GLN A 131 ? 0.9467 1.1270 0.7069 -0.0271 0.1595 -0.0047 132 GLN A O 958 C CB . GLN A 131 ? 0.9583 1.1527 0.7497 -0.0476 0.1484 0.0231 132 GLN A CB 959 C CG . GLN A 131 ? 1.0020 1.1912 0.7886 -0.0579 0.1440 0.0355 132 GLN A CG 960 C CD . GLN A 131 ? 1.0258 1.2227 0.8274 -0.0654 0.1463 0.0433 132 GLN A CD 961 O OE1 . GLN A 131 ? 1.0163 1.2188 0.8112 -0.0747 0.1510 0.0517 132 GLN A OE1 962 N NE2 . GLN A 131 ? 1.0001 1.1966 0.8202 -0.0628 0.1431 0.0404 132 GLN A NE2 963 N N . ASN A 132 ? 0.8666 1.0397 0.6584 -0.0280 0.1469 0.0004 133 ASN A N 964 C CA . ASN A 132 ? 0.8698 1.0402 0.6661 -0.0160 0.1522 -0.0084 133 ASN A CA 965 C C . ASN A 132 ? 0.8881 1.0374 0.6616 -0.0105 0.1544 -0.0201 133 ASN A C 966 O O . ASN A 132 ? 0.9239 1.0708 0.6914 0.0010 0.1636 -0.0273 133 ASN A O 967 C CB . ASN A 132 ? 0.8608 1.0568 0.6676 -0.0095 0.1633 -0.0065 133 ASN A CB 968 C CG . ASN A 132 ? 0.8900 1.1053 0.7193 -0.0172 0.1607 0.0037 133 ASN A CG 969 O OD1 . ASN A 132 ? 0.9291 1.1668 0.7622 -0.0224 0.1668 0.0098 133 ASN A OD1 970 N ND2 . ASN A 132 ? 0.9429 1.1483 0.7852 -0.0197 0.1518 0.0056 133 ASN A ND2 971 N N . GLY A 133 ? 0.9197 1.0535 0.6792 -0.0189 0.1462 -0.0220 134 GLY A N 972 C CA . GLY A 133 ? 1.0089 1.1195 0.7451 -0.0179 0.1467 -0.0338 134 GLY A CA 973 C C . GLY A 133 ? 1.0420 1.1348 0.7807 -0.0079 0.1492 -0.0416 134 GLY A C 974 O O . GLY A 133 ? 1.0367 1.1304 0.7961 -0.0061 0.1435 -0.0379 134 GLY A O 975 N N . ARG A 134 ? 1.1174 1.1915 0.8321 -0.0011 0.1581 -0.0524 135 ARG A N 976 C CA . ARG A 134 ? 1.1426 1.1966 0.8533 0.0120 0.1641 -0.0597 135 ARG A CA 977 C C . ARG A 134 ? 1.1474 1.1660 0.8279 0.0051 0.1624 -0.0710 135 ARG A C 978 O O . ARG A 134 ? 1.0911 1.1064 0.7538 -0.0087 0.1582 -0.0735 135 ARG A O 979 C CB . ARG A 134 ? 1.2609 1.3208 0.9646 0.0288 0.1792 -0.0626 135 ARG A CB 980 C CG . ARG A 134 ? 1.3563 1.4559 1.0833 0.0322 0.1832 -0.0524 135 ARG A CG 981 C CD . ARG A 134 ? 1.4462 1.5554 1.1656 0.0505 0.1990 -0.0554 135 ARG A CD 982 N NE . ARG A 134 ? 1.5183 1.6253 1.2116 0.0488 0.2072 -0.0599 135 ARG A NE 983 C CZ . ARG A 134 ? 1.4890 1.5632 1.1465 0.0522 0.2138 -0.0717 135 ARG A CZ 984 N NH1 . ARG A 134 ? 1.4578 1.4947 1.0982 0.0567 0.2136 -0.0806 135 ARG A NH1 985 N NH2 . ARG A 134 ? 1.4224 1.4991 1.0582 0.0498 0.2210 -0.0748 135 ARG A NH2 986 N N . SER A 135 ? 1.1970 1.1896 0.8706 0.0139 0.1657 -0.0774 136 SER A N 987 C CA . SER A 135 ? 1.1907 1.1447 0.8324 0.0059 0.1652 -0.0887 136 SER A CA 988 C C . SER A 135 ? 1.2016 1.1226 0.8277 0.0220 0.1753 -0.0961 136 SER A C 989 O O . SER A 135 ? 1.2332 1.1632 0.8821 0.0366 0.1767 -0.0906 136 SER A O 990 C CB . SER A 135 ? 1.1578 1.1121 0.8094 -0.0107 0.1507 -0.0862 136 SER A CB 991 O OG . SER A 135 ? 1.2176 1.1347 0.8402 -0.0186 0.1510 -0.0969 136 SER A OG 992 N N . GLY A 136 ? 1.2105 1.0918 0.7955 0.0188 0.1822 -0.1084 137 GLY A N 993 C CA . GLY A 136 ? 1.2534 1.0929 0.8133 0.0343 0.1936 -0.1164 137 GLY A CA 994 C C . GLY A 136 ? 1.3167 1.1351 0.8807 0.0297 0.1865 -0.1167 137 GLY A C 995 O O . GLY A 136 ? 1.3734 1.1586 0.9215 0.0443 0.1949 -0.1208 137 GLY A O 996 N N . ALA A 137 ? 1.2729 1.1103 0.8572 0.0104 0.1716 -0.1119 138 ALA A N 997 C CA . ALA A 137 ? 1.2616 1.0867 0.8553 0.0056 0.1640 -0.1105 138 ALA A CA 998 C C . ALA A 137 ? 1.2125 1.0603 0.8427 0.0242 0.1634 -0.1004 138 ALA A C 999 O O . ALA A 137 ? 1.1462 0.9793 0.7816 0.0272 0.1608 -0.0995 138 ALA A O 1000 C CB . ALA A 137 ? 1.2474 1.0911 0.8523 -0.0188 0.1489 -0.1076 138 ALA A CB 1001 N N . CYS A 138 ? 1.1794 1.0630 0.8329 0.0356 0.1662 -0.0930 139 CYS A N 1002 C CA . CYS A 138 ? 1.1968 1.1131 0.8895 0.0453 0.1619 -0.0822 139 CYS A CA 1003 C C . CYS A 138 ? 1.2063 1.1411 0.9069 0.0677 0.1735 -0.0789 139 CYS A C 1004 O O . CYS A 138 ? 1.1874 1.1598 0.9098 0.0677 0.1729 -0.0718 139 CYS A O 1005 C CB . CYS A 138 ? 1.1856 1.1364 0.9044 0.0290 0.1495 -0.0739 139 CYS A CB 1006 S SG . CYS A 138 ? 1.2687 1.2538 1.0318 0.0345 0.1422 -0.0615 139 CYS A SG 1007 N N . LYS A 139 ? 1.2738 1.1819 0.9557 0.0869 0.1845 -0.0836 140 LYS A N 1008 C CA . LYS A 139 ? 1.2956 1.2179 0.9775 0.1116 0.1980 -0.0818 140 LYS A CA 1009 C C . LYS A 139 ? 1.2536 1.2135 0.9716 0.1268 0.1970 -0.0713 140 LYS A C 1010 O O . LYS A 139 ? 1.2940 1.2400 1.0139 0.1376 0.1968 -0.0702 140 LYS A O 1011 C CB . LYS A 139 ? 1.3890 1.2621 1.0299 0.1288 0.2118 -0.0912 140 LYS A CB 1012 C CG . LYS A 139 ? 1.5144 1.3571 1.1149 0.1227 0.2199 -0.1019 140 LYS A CG 1013 C CD . LYS A 139 ? 1.6729 1.4795 1.2383 0.1495 0.2380 -0.1082 140 LYS A CD 1014 C CE . LYS A 139 ? 1.7251 1.4887 1.2415 0.1428 0.2472 -0.1211 140 LYS A CE 1015 N NZ . LYS A 139 ? 1.7629 1.5584 1.2864 0.1276 0.2441 -0.1209 140 LYS A NZ 1016 N N . ARG A 140 ? 1.2310 1.2387 0.9755 0.1270 0.1969 -0.0636 141 ARG A N 1017 C CA . ARG A 140 ? 1.1618 1.2113 0.9388 0.1404 0.1972 -0.0539 141 ARG A CA 1018 C C . ARG A 140 ? 1.2321 1.2972 1.0012 0.1661 0.2131 -0.0535 141 ARG A C 1019 O O . ARG A 140 ? 1.2432 1.3410 1.0197 0.1650 0.2178 -0.0506 141 ARG A O 1020 C CB . ARG A 140 ? 1.0705 1.1621 0.8796 0.1214 0.1871 -0.0455 141 ARG A CB 1021 C CG . ARG A 140 ? 1.0365 1.1758 0.8789 0.1287 0.1865 -0.0356 141 ARG A CG 1022 C CD . ARG A 140 ? 0.9639 1.1331 0.8310 0.1061 0.1764 -0.0284 141 ARG A CD 1023 N NE . ARG A 140 ? 0.9366 1.0912 0.8138 0.0924 0.1632 -0.0271 141 ARG A NE 1024 C CZ . ARG A 140 ? 0.9397 1.0762 0.8120 0.0733 0.1542 -0.0282 141 ARG A CZ 1025 N NH1 . ARG A 140 ? 0.9736 1.1041 0.8309 0.0639 0.1558 -0.0305 141 ARG A NH1 1026 N NH2 . ARG A 140 ? 0.8956 1.0218 0.7779 0.0644 0.1435 -0.0264 141 ARG A NH2 1027 N N . GLY A 141 ? 1.3105 1.3506 1.0623 0.1900 0.2219 -0.0562 142 GLY A N 1028 C CA . GLY A 141 ? 1.3498 1.3942 1.0854 0.2190 0.2390 -0.0570 142 GLY A CA 1029 C C . GLY A 141 ? 1.4562 1.4433 1.1434 0.2224 0.2491 -0.0692 142 GLY A C 1030 O O . GLY A 141 ? 1.5392 1.4753 1.2021 0.2120 0.2452 -0.0767 142 GLY A O 1031 N N . SER A 142 ? 1.4862 1.4812 1.1576 0.2359 0.2626 -0.0717 143 SER A N 1032 C CA . SER A 142 ? 1.6052 1.5503 1.2311 0.2315 0.2707 -0.0840 143 SER A CA 1033 C C . SER A 142 ? 1.5845 1.5341 1.2152 0.1969 0.2584 -0.0866 143 SER A C 1034 O O . SER A 142 ? 1.6281 1.5332 1.2251 0.1823 0.2579 -0.0968 143 SER A O 1035 C CB . SER A 142 ? 1.6512 1.6074 1.2594 0.2551 0.2888 -0.0856 143 SER A CB 1036 O OG . SER A 142 ? 1.6426 1.6529 1.2804 0.2795 0.2949 -0.0748 143 SER A OG 1037 N N . ALA A 143 ? 1.4693 1.4729 1.1403 0.1839 0.2488 -0.0769 144 ALA A N 1038 C CA . ALA A 143 ? 1.3516 1.3700 1.0277 0.1578 0.2409 -0.0767 144 ALA A CA 1039 C C . ALA A 143 ? 1.2563 1.2530 0.9332 0.1310 0.2251 -0.0788 144 ALA A C 1040 O O . ALA A 143 ? 1.2340 1.2268 0.9269 0.1285 0.2163 -0.0756 144 ALA A O 1041 C CB . ALA A 143 ? 1.2771 1.3580 0.9924 0.1547 0.2383 -0.0650 144 ALA A CB 1042 N N . ASP A 144 ? 1.1929 1.1788 0.8522 0.1119 0.2219 -0.0837 145 ASP A N 1043 C CA . ASP A 144 ? 1.1540 1.1353 0.8196 0.0858 0.2064 -0.0829 145 ASP A CA 1044 C C . ASP A 144 ? 1.0854 1.1114 0.7932 0.0785 0.1964 -0.0704 145 ASP A C 1045 O O . ASP A 144 ? 0.9910 1.0538 0.7169 0.0847 0.2011 -0.0635 145 ASP A O 1046 C CB . ASP A 144 ? 1.1701 1.1439 0.8123 0.0683 0.2052 -0.0882 145 ASP A CB 1047 C CG . ASP A 144 ? 1.2210 1.1481 0.8157 0.0710 0.2151 -0.1020 145 ASP A CG 1048 O OD1 . ASP A 144 ? 1.2318 1.1205 0.8073 0.0795 0.2194 -0.1087 145 ASP A OD1 1049 O OD2 . ASP A 144 ? 1.2179 1.1451 0.7924 0.0633 0.2187 -0.1061 145 ASP A OD2 1050 N N . SER A 145 ? 1.1047 1.1264 0.8258 0.0641 0.1830 -0.0676 146 SER A N 1051 C CA . SER A 145 ? 1.0443 1.1000 0.8016 0.0573 0.1736 -0.0565 146 SER A CA 1052 C C . SER A 145 ? 0.9872 1.0315 0.7481 0.0389 0.1595 -0.0555 146 SER A C 1053 O O . SER A 145 ? 1.0134 1.0339 0.7510 0.0285 0.1567 -0.0621 146 SER A O 1054 C CB . SER A 145 ? 1.0205 1.0901 0.7995 0.0736 0.1762 -0.0521 146 SER A CB 1055 O OG . SER A 145 ? 0.9945 1.1051 0.8046 0.0696 0.1726 -0.0417 146 SER A OG 1056 N N . PHE A 146 ? 0.9356 0.9984 0.7247 0.0346 0.1509 -0.0471 147 PHE A N 1057 C CA . PHE A 146 ? 0.9363 0.9937 0.7309 0.0192 0.1382 -0.0445 147 PHE A CA 1058 C C . PHE A 146 ? 0.9372 1.0076 0.7601 0.0204 0.1315 -0.0372 147 PHE A C 1059 O O . PHE A 146 ? 0.9580 1.0455 0.7963 0.0310 0.1363 -0.0339 147 PHE A O 1060 C CB . PHE A 146 ? 0.9117 0.9843 0.7046 0.0065 0.1346 -0.0396 147 PHE A CB 1061 C CG . PHE A 146 ? 0.8765 0.9424 0.6669 -0.0071 0.1231 -0.0379 147 PHE A CG 1062 C CD1 . PHE A 146 ? 0.9080 0.9517 0.6763 -0.0135 0.1207 -0.0462 147 PHE A CD1 1063 C CD2 . PHE A 146 ? 0.8709 0.9530 0.6792 -0.0139 0.1152 -0.0278 147 PHE A CD2 1064 C CE1 . PHE A 146 ? 0.9092 0.9538 0.6768 -0.0260 0.1098 -0.0437 147 PHE A CE1 1065 C CE2 . PHE A 146 ? 0.8400 0.9191 0.6458 -0.0236 0.1053 -0.0252 147 PHE A CE2 1066 C CZ . PHE A 146 ? 0.8259 0.8897 0.6133 -0.0295 0.1022 -0.0329 147 PHE A CZ 1067 N N . PHE A 147 ? 0.8775 0.9417 0.7063 0.0100 0.1208 -0.0349 148 PHE A N 1068 C CA . PHE A 147 ? 0.8632 0.9383 0.7163 0.0094 0.1141 -0.0280 148 PHE A CA 1069 C C . PHE A 147 ? 0.8168 0.9198 0.6862 0.0090 0.1169 -0.0202 148 PHE A C 1070 O O . PHE A 147 ? 0.8800 0.9915 0.7450 0.0013 0.1170 -0.0165 148 PHE A O 1071 C CB . PHE A 147 ? 0.8855 0.9552 0.7409 -0.0024 0.1031 -0.0249 148 PHE A CB 1072 C CG . PHE A 147 ? 0.9436 0.9902 0.7839 -0.0057 0.0996 -0.0320 148 PHE A CG 1073 C CD1 . PHE A 147 ? 0.9534 0.9858 0.7970 -0.0001 0.0989 -0.0352 148 PHE A CD1 1074 C CD2 . PHE A 147 ? 0.9624 1.0028 0.7843 -0.0158 0.0967 -0.0351 148 PHE A CD2 1075 C CE1 . PHE A 147 ? 0.9391 0.9489 0.7667 -0.0055 0.0962 -0.0417 148 PHE A CE1 1076 C CE2 . PHE A 147 ? 0.9871 1.0084 0.7940 -0.0221 0.0935 -0.0419 148 PHE A CE2 1077 C CZ . PHE A 147 ? 0.9352 0.9400 0.7445 -0.0175 0.0935 -0.0453 148 PHE A CZ 1078 N N . SER A 148 ? 0.8132 0.9312 0.6999 0.0164 0.1193 -0.0174 149 SER A N 1079 C CA . SER A 148 ? 0.8172 0.9645 0.7191 0.0134 0.1222 -0.0101 149 SER A CA 1080 C C . SER A 148 ? 0.8007 0.9525 0.7109 -0.0012 0.1149 -0.0022 149 SER A C 1081 O O . SER A 148 ? 0.8209 0.9908 0.7354 -0.0077 0.1180 0.0032 149 SER A O 1082 C CB . SER A 148 ? 0.7905 0.9563 0.7095 0.0235 0.1252 -0.0088 149 SER A CB 1083 O OG . SER A 148 ? 0.8268 0.9807 0.7544 0.0238 0.1176 -0.0088 149 SER A OG 1084 N N . ARG A 149 ? 0.7995 0.9342 0.7107 -0.0058 0.1059 -0.0014 150 ARG A N 1085 C CA . ARG A 149 ? 0.7905 0.9241 0.7060 -0.0169 0.0998 0.0061 150 ARG A CA 1086 C C . ARG A 149 ? 0.8027 0.9264 0.7024 -0.0226 0.0973 0.0081 150 ARG A C 1087 O O . ARG A 149 ? 0.8415 0.9605 0.7402 -0.0293 0.0928 0.0150 150 ARG A O 1088 C CB . ARG A 149 ? 0.7935 0.9160 0.7184 -0.0170 0.0919 0.0067 150 ARG A CB 1089 C CG . ARG A 149 ? 0.7800 0.9154 0.7218 -0.0170 0.0920 0.0090 150 ARG A CG 1090 C CD . ARG A 149 ? 0.7581 0.9023 0.7059 -0.0051 0.0964 0.0036 150 ARG A CD 1091 N NE . ARG A 149 ? 0.7587 0.9238 0.7233 -0.0053 0.0970 0.0067 150 ARG A NE 1092 C CZ . ARG A 149 ? 0.7228 0.8848 0.6974 -0.0054 0.0913 0.0073 150 ARG A CZ 1093 N NH1 . ARG A 149 ? 0.7816 0.9201 0.7518 -0.0046 0.0851 0.0053 150 ARG A NH1 1094 N NH2 . ARG A 149 ? 0.7042 0.8894 0.6930 -0.0067 0.0920 0.0101 150 ARG A NH2 1095 N N . LEU A 150 ? 0.8309 0.9502 0.7162 -0.0194 0.1004 0.0023 151 LEU A N 1096 C CA . LEU A 150 ? 0.8884 1.0027 0.7576 -0.0248 0.0981 0.0038 151 LEU A CA 1097 C C . LEU A 150 ? 0.8965 1.0198 0.7531 -0.0251 0.1062 0.0024 151 LEU A C 1098 O O . LEU A 150 ? 0.8408 0.9700 0.6968 -0.0186 0.1142 -0.0028 151 LEU A O 1099 C CB . LEU A 150 ? 0.8959 0.9959 0.7558 -0.0242 0.0927 -0.0024 151 LEU A CB 1100 C CG . LEU A 150 ? 0.8675 0.9620 0.7309 -0.0277 0.0830 0.0020 151 LEU A CG 1101 C CD1 . LEU A 150 ? 0.8820 0.9781 0.7609 -0.0277 0.0802 0.0098 151 LEU A CD1 1102 C CD2 . LEU A 150 ? 0.8464 0.9296 0.7072 -0.0267 0.0793 -0.0054 151 LEU A CD2 1103 N N . ASN A 151 ? 0.9226 1.0474 0.7683 -0.0315 0.1044 0.0081 152 ASN A N 1104 C CA . ASN A 151 ? 0.9376 1.0716 0.7704 -0.0335 0.1115 0.0088 152 ASN A CA 1105 C C . ASN A 151 ? 0.9201 1.0482 0.7322 -0.0365 0.1085 0.0062 152 ASN A C 1106 O O . ASN A 151 ? 0.9141 1.0416 0.7206 -0.0410 0.1022 0.0132 152 ASN A O 1107 C CB . ASN A 151 ? 0.9256 1.0684 0.7627 -0.0400 0.1131 0.0197 152 ASN A CB 1108 C CG . ASN A 151 ? 0.9165 1.0724 0.7440 -0.0423 0.1219 0.0210 152 ASN A CG 1109 O OD1 . ASN A 151 ? 0.9793 1.1368 0.7938 -0.0390 0.1263 0.0144 152 ASN A OD1 1110 N ND2 . ASN A 151 ? 0.8926 1.0568 0.7245 -0.0491 0.1251 0.0295 152 ASN A ND2 1111 N N . TRP A 152 ? 0.9147 1.0383 0.7136 -0.0337 0.1132 -0.0037 153 TRP A N 1112 C CA . TRP A 152 ? 0.9723 1.0909 0.7496 -0.0387 0.1105 -0.0078 153 TRP A CA 1113 C C . TRP A 152 ? 0.9629 1.0929 0.7277 -0.0423 0.1147 -0.0026 153 TRP A C 1114 O O . TRP A 152 ? 0.9626 1.0988 0.7247 -0.0390 0.1244 -0.0047 153 TRP A O 1115 C CB . TRP A 152 ? 1.0210 1.1252 0.7836 -0.0357 0.1153 -0.0211 153 TRP A CB 1116 C CG . TRP A 152 ? 1.0777 1.1739 0.8191 -0.0442 0.1101 -0.0266 153 TRP A CG 1117 C CD1 . TRP A 152 ? 1.0689 1.1757 0.8029 -0.0524 0.1026 -0.0207 153 TRP A CD1 1118 C CD2 . TRP A 152 ? 1.1158 1.1921 0.8382 -0.0462 0.1120 -0.0392 153 TRP A CD2 1119 N NE1 . TRP A 152 ? 1.0961 1.1959 0.8102 -0.0606 0.0990 -0.0288 153 TRP A NE1 1120 C CE2 . TRP A 152 ? 1.1271 1.2056 0.8322 -0.0584 0.1049 -0.0407 153 TRP A CE2 1121 C CE3 . TRP A 152 ? 1.1998 1.2557 0.9163 -0.0388 0.1193 -0.0489 153 TRP A CE3 1122 C CZ2 . TRP A 152 ? 1.2103 1.2706 0.8916 -0.0666 0.1048 -0.0526 153 TRP A CZ2 1123 C CZ3 . TRP A 152 ? 1.2870 1.3194 0.9777 -0.0451 0.1200 -0.0604 153 TRP A CZ3 1124 C CH2 . TRP A 152 ? 1.2670 1.3015 0.9401 -0.0605 0.1127 -0.0626 153 TRP A CH2 1125 N N . LEU A 153 ? 0.9538 1.0881 0.7109 -0.0480 0.1078 0.0047 154 LEU A N 1126 C CA . LEU A 153 ? 0.9671 1.1115 0.7113 -0.0514 0.1109 0.0117 154 LEU A CA 1127 C C . LEU A 153 ? 1.0082 1.1540 0.7289 -0.0562 0.1090 0.0063 154 LEU A C 1128 O O . LEU A 153 ? 1.0519 1.1959 0.7677 -0.0596 0.1005 0.0040 154 LEU A O 1129 C CB . LEU A 153 ? 0.9369 1.0842 0.6862 -0.0529 0.1050 0.0259 154 LEU A CB 1130 C CG . LEU A 153 ? 0.9307 1.0741 0.7000 -0.0510 0.1062 0.0320 154 LEU A CG 1131 C CD1 . LEU A 153 ? 0.9836 1.1230 0.7503 -0.0518 0.1011 0.0456 154 LEU A CD1 1132 C CD2 . LEU A 153 ? 0.9111 1.0618 0.6860 -0.0518 0.1167 0.0314 154 LEU A CD2 1133 N N . THR A 154 ? 1.0775 1.2287 0.7831 -0.0574 0.1169 0.0048 155 THR A N 1134 C CA . THR A 154 ? 1.1382 1.2914 0.8176 -0.0631 0.1165 -0.0006 155 THR A CA 1135 C C . THR A 154 ? 1.1403 1.3060 0.8076 -0.0651 0.1211 0.0077 155 THR A C 1136 O O . THR A 154 ? 1.0332 1.2040 0.7116 -0.0628 0.1255 0.0172 155 THR A O 1137 C CB . THR A 154 ? 1.1318 1.2716 0.7973 -0.0620 0.1240 -0.0166 155 THR A CB 1138 O OG1 . THR A 154 ? 1.0520 1.1921 0.7257 -0.0536 0.1357 -0.0181 155 THR A OG1 1139 C CG2 . THR A 154 ? 1.1436 1.2683 0.8142 -0.0624 0.1185 -0.0247 155 THR A CG2 1140 N N . LYS A 155 ? 1.1809 1.3509 0.8237 -0.0708 0.1200 0.0042 156 LYS A N 1141 C CA . LYS A 155 ? 1.1947 1.3761 0.8225 -0.0730 0.1244 0.0115 156 LYS A CA 1142 C C . LYS A 155 ? 1.2598 1.4425 0.8913 -0.0689 0.1378 0.0105 156 LYS A C 1143 O O . LYS A 155 ? 1.1941 1.3695 0.8292 -0.0641 0.1451 -0.0001 156 LYS A O 1144 C CB . LYS A 155 ? 1.2518 1.4363 0.8506 -0.0802 0.1230 0.0036 156 LYS A CB 1145 C CG . LYS A 155 ? 1.3116 1.4821 0.8955 -0.0803 0.1322 -0.0135 156 LYS A CG 1146 C CD . LYS A 155 ? 1.3848 1.5579 0.9356 -0.0884 0.1338 -0.0203 156 LYS A CD 1147 C CE . LYS A 155 ? 1.4013 1.5573 0.9335 -0.0856 0.1467 -0.0359 156 LYS A CE 1148 N NZ . LYS A 155 ? 1.3873 1.5497 0.9247 -0.0765 0.1600 -0.0324 156 LYS A NZ 1149 N N . SER A 156 ? 1.3489 1.5415 0.9785 -0.0703 0.1413 0.0225 157 SER A N 1150 C CA . SER A 156 ? 1.3992 1.5996 1.0244 -0.0692 0.1544 0.0218 157 SER A CA 1151 C C . SER A 156 ? 1.3917 1.5993 0.9889 -0.0740 0.1563 0.0231 157 SER A C 1152 O O . SER A 156 ? 1.4079 1.6197 0.9970 -0.0777 0.1493 0.0343 157 SER A O 1153 C CB . SER A 156 ? 1.3641 1.5709 1.0068 -0.0700 0.1584 0.0343 157 SER A CB 1154 O OG . SER A 156 ? 1.3153 1.5348 0.9524 -0.0706 0.1711 0.0344 157 SER A OG 1155 N N . GLY A 157 ? 1.3819 1.5904 0.9629 -0.0727 0.1659 0.0120 158 GLY A N 1156 C CA . GLY A 157 ? 1.4135 1.6281 0.9651 -0.0778 0.1680 0.0112 158 GLY A CA 1157 C C . GLY A 157 ? 1.4264 1.6368 0.9600 -0.0840 0.1564 0.0067 158 GLY A C 1158 O O . GLY A 157 ? 1.4506 1.6488 0.9759 -0.0850 0.1553 -0.0075 158 GLY A O 1159 N N . SER A 158 ? 1.3933 1.6144 0.9197 -0.0884 0.1477 0.0191 159 SER A N 1160 C CA . SER A 158 ? 1.4514 1.6769 0.9620 -0.0949 0.1358 0.0167 159 SER A CA 1161 C C . SER A 158 ? 1.4447 1.6793 0.9669 -0.0934 0.1233 0.0323 159 SER A C 1162 O O . SER A 158 ? 1.4436 1.6924 0.9506 -0.0973 0.1144 0.0376 159 SER A O 1163 C CB . SER A 158 ? 1.5175 1.7520 0.9956 -0.1015 0.1386 0.0135 159 SER A CB 1164 O OG . SER A 158 ? 1.5317 1.7762 1.0054 -0.0994 0.1441 0.0271 159 SER A OG 1165 N N . SER A 159 ? 1.4027 1.6301 0.9508 -0.0870 0.1229 0.0398 160 SER A N 1166 C CA . SER A 159 ? 1.3702 1.6011 0.9301 -0.0834 0.1115 0.0521 160 SER A CA 1167 C C . SER A 159 ? 1.2977 1.5154 0.8856 -0.0783 0.1108 0.0515 160 SER A C 1168 O O . SER A 159 ? 1.2209 1.4288 0.8210 -0.0771 0.1193 0.0441 160 SER A O 1169 C CB . SER A 159 ? 1.3755 1.6123 0.9271 -0.0798 0.1110 0.0712 160 SER A CB 1170 O OG . SER A 159 ? 1.3342 1.5589 0.8969 -0.0774 0.1201 0.0782 160 SER A OG 1171 N N . TYR A 160 ? 1.2418 1.4619 0.8388 -0.0745 0.1005 0.0599 161 TYR A N 1172 C CA . TYR A 160 ? 1.1609 1.3695 0.7823 -0.0694 0.0981 0.0617 161 TYR A CA 1173 C C . TYR A 160 ? 1.1089 1.3200 0.7299 -0.0625 0.0913 0.0794 161 TYR A C 1174 O O . TYR A 160 ? 1.0727 1.2975 0.6893 -0.0603 0.0814 0.0828 161 TYR A O 1175 C CB . TYR A 160 ? 1.1740 1.3825 0.8033 -0.0719 0.0918 0.0487 161 TYR A CB 1176 C CG . TYR A 160 ? 1.1571 1.3545 0.8110 -0.0670 0.0890 0.0487 161 TYR A CG 1177 C CD1 . TYR A 160 ? 1.1791 1.3773 0.8421 -0.0604 0.0820 0.0616 161 TYR A CD1 1178 C CD2 . TYR A 160 ? 1.1775 1.3628 0.8436 -0.0678 0.0936 0.0359 161 TYR A CD2 1179 C CE1 . TYR A 160 ? 1.2010 1.3886 0.8850 -0.0562 0.0797 0.0611 161 TYR A CE1 1180 C CE2 . TYR A 160 ? 1.1832 1.3595 0.8710 -0.0635 0.0907 0.0360 161 TYR A CE2 1181 C CZ . TYR A 160 ? 1.1765 1.3540 0.8733 -0.0585 0.0837 0.0483 161 TYR A CZ 1182 O OH . TYR A 160 ? 1.1589 1.3269 0.8756 -0.0545 0.0810 0.0481 161 TYR A OH 1183 N N . PRO A 161 ? 1.1091 1.3072 0.7326 -0.0590 0.0971 0.0910 162 PRO A N 1184 C CA . PRO A 161 ? 1.1708 1.3650 0.7864 -0.0510 0.0930 0.1089 162 PRO A CA 1185 C C . PRO A 161 ? 1.1776 1.3631 0.8100 -0.0434 0.0865 0.1123 162 PRO A C 1186 O O . PRO A 161 ? 1.1566 1.3341 0.8082 -0.0458 0.0877 0.1024 162 PRO A O 1187 C CB . PRO A 161 ? 1.2253 1.4029 0.8352 -0.0535 0.1036 0.1174 162 PRO A CB 1188 C CG . PRO A 161 ? 1.1940 1.3653 0.8234 -0.0597 0.1103 0.1048 162 PRO A CG 1189 C CD . PRO A 161 ? 1.1388 1.3244 0.7720 -0.0625 0.1079 0.0882 162 PRO A CD 1190 N N . THR A 162 ? 1.1829 1.3706 0.8074 -0.0330 0.0802 0.1264 163 THR A N 1191 C CA . THR A 162 ? 1.1587 1.3340 0.7960 -0.0236 0.0761 0.1321 163 THR A CA 1192 C C . THR A 162 ? 1.1409 1.2874 0.7880 -0.0272 0.0845 0.1314 163 THR A C 1193 O O . THR A 162 ? 1.1652 1.2954 0.7996 -0.0295 0.0922 0.1399 163 THR A O 1194 C CB . THR A 162 ? 1.1898 1.3641 0.8116 -0.0088 0.0722 0.1511 163 THR A CB 1195 O OG1 . THR A 162 ? 1.1754 1.3825 0.7875 -0.0057 0.0641 0.1532 163 THR A OG1 1196 C CG2 . THR A 162 ? 1.1648 1.3255 0.7985 0.0023 0.0687 0.1560 163 THR A CG2 1197 N N . LEU A 163 ? 1.1062 1.2482 0.7749 -0.0294 0.0831 0.1209 164 LEU A N 1198 C CA . LEU A 163 ? 1.0867 1.2060 0.7665 -0.0335 0.0896 0.1198 164 LEU A CA 1199 C C . LEU A 163 ? 1.0900 1.1882 0.7677 -0.0240 0.0875 0.1311 164 LEU A C 1200 O O . LEU A 163 ? 1.1007 1.2060 0.7820 -0.0139 0.0797 0.1335 164 LEU A O 1201 C CB . LEU A 163 ? 1.0827 1.2071 0.7852 -0.0388 0.0891 0.1041 164 LEU A CB 1202 C CG . LEU A 163 ? 1.1102 1.2476 0.8135 -0.0474 0.0946 0.0923 164 LEU A CG 1203 C CD1 . LEU A 163 ? 1.1189 1.2617 0.8400 -0.0487 0.0922 0.0773 164 LEU A CD1 1204 C CD2 . LEU A 163 ? 1.1208 1.2505 0.8226 -0.0547 0.1052 0.0947 164 LEU A CD2 1205 N N . ASN A 164 ? 1.1194 1.1915 0.7898 -0.0279 0.0949 0.1381 165 ASN A N 1206 C CA . ASN A 164 ? 1.1370 1.1811 0.7998 -0.0195 0.0949 0.1488 165 ASN A CA 1207 C C . ASN A 164 ? 1.1615 1.1805 0.8285 -0.0310 0.1022 0.1468 165 ASN A C 1208 O O . ASN A 164 ? 1.2088 1.2091 0.8586 -0.0387 0.1100 0.1543 165 ASN A O 1209 C CB . ASN A 164 ? 1.1554 1.1877 0.7895 -0.0094 0.0963 0.1658 165 ASN A CB 1210 C CG . ASN A 164 ? 1.1815 1.1802 0.8030 0.0019 0.0973 0.1774 165 ASN A CG 1211 O OD1 . ASN A 164 ? 1.1907 1.1913 0.8235 0.0121 0.0914 0.1757 165 ASN A OD1 1212 N ND2 . ASN A 164 ? 1.2190 1.1841 0.8147 -0.0001 0.1056 0.1891 165 ASN A ND2 1213 N N . VAL A 165 ? 1.1651 1.1852 0.8543 -0.0331 0.0995 0.1368 166 VAL A N 1214 C CA . VAL A 165 ? 1.1460 1.1541 0.8456 -0.0463 0.1050 0.1312 166 VAL A CA 1215 C C . VAL A 165 ? 1.1408 1.1238 0.8426 -0.0421 0.1030 0.1332 166 VAL A C 1216 O O . VAL A 165 ? 1.1648 1.1534 0.8758 -0.0302 0.0958 0.1312 166 VAL A O 1217 C CB . VAL A 165 ? 1.1359 1.1717 0.8616 -0.0523 0.1036 0.1157 166 VAL A CB 1218 C CG1 . VAL A 165 ? 1.1858 1.2176 0.9233 -0.0657 0.1093 0.1107 166 VAL A CG1 1219 C CG2 . VAL A 165 ? 1.1535 1.2137 0.8756 -0.0540 0.1052 0.1121 166 VAL A CG2 1220 N N . THR A 166 ? 1.1145 1.0703 0.8066 -0.0530 0.1095 0.1369 167 THR A N 1221 C CA . THR A 166 ? 1.1225 1.0510 0.8143 -0.0518 0.1087 0.1374 167 THR A CA 1222 C C . THR A 166 ? 1.0983 1.0307 0.8079 -0.0684 0.1112 0.1277 167 THR A C 1223 O O . THR A 166 ? 1.0989 1.0521 0.8180 -0.0815 0.1151 0.1226 167 THR A O 1224 C CB . THR A 166 ? 1.2050 1.0885 0.8632 -0.0502 0.1146 0.1511 167 THR A CB 1225 O OG1 . THR A 166 ? 1.2348 1.1080 0.8772 -0.0675 0.1232 0.1551 167 THR A OG1 1226 C CG2 . THR A 166 ? 1.2557 1.1338 0.8960 -0.0290 0.1116 0.1624 167 THR A CG2 1227 N N . MET A 167 ? 1.0766 0.9911 0.7903 -0.0668 0.1088 0.1255 168 MET A N 1228 C CA . MET A 167 ? 1.0391 0.9553 0.7667 -0.0824 0.1106 0.1177 168 MET A CA 1229 C C . MET A 167 ? 1.0011 0.8826 0.7181 -0.0790 0.1095 0.1201 168 MET A C 1230 O O . MET A 167 ? 1.0044 0.8898 0.7327 -0.0652 0.1032 0.1169 168 MET A O 1231 C CB . MET A 167 ? 1.0373 0.9914 0.7978 -0.0804 0.1053 0.1052 168 MET A CB 1232 C CG . MET A 167 ? 1.0442 1.0074 0.8203 -0.0960 0.1073 0.0979 168 MET A CG 1233 S SD . MET A 167 ? 1.0289 1.0009 0.7963 -0.1179 0.1169 0.1010 168 MET A SD 1234 C CE . MET A 167 ? 1.0210 1.0358 0.8053 -0.1102 0.1170 0.0953 168 MET A CE 1235 N N . PRO A 168 ? 1.0368 0.8823 0.7292 -0.0919 0.1162 0.1259 169 PRO A N 1236 C CA . PRO A 168 ? 1.1066 0.9136 0.7841 -0.0878 0.1161 0.1279 169 PRO A CA 1237 C C . PRO A 168 ? 1.1147 0.9310 0.8126 -0.0994 0.1134 0.1172 169 PRO A C 1238 O O . PRO A 168 ? 1.2038 1.0473 0.9187 -0.1163 0.1145 0.1108 169 PRO A O 1239 C CB . PRO A 168 ? 1.1777 0.9380 0.8160 -0.0992 0.1254 0.1379 169 PRO A CB 1240 C CG . PRO A 168 ? 1.1427 0.9240 0.7826 -0.1169 0.1302 0.1384 169 PRO A CG 1241 C CD . PRO A 168 ? 1.0805 0.9126 0.7503 -0.1069 0.1246 0.1331 169 PRO A CD 1242 N N . ASN A 169 ? 1.0954 0.8913 0.7910 -0.0893 0.1102 0.1159 170 ASN A N 1243 C CA . ASN A 169 ? 1.0670 0.8656 0.7768 -0.0996 0.1077 0.1069 170 ASN A CA 1244 C C . ASN A 169 ? 1.1508 0.9004 0.8283 -0.1149 0.1143 0.1103 170 ASN A C 1245 O O . ASN A 169 ? 1.1594 0.8669 0.8117 -0.1031 0.1162 0.1156 170 ASN A O 1246 C CB . ASN A 169 ? 1.0525 0.8586 0.7783 -0.0796 0.1003 0.1030 170 ASN A CB 1247 C CG . ASN A 169 ? 1.0826 0.8892 0.8212 -0.0880 0.0975 0.0944 170 ASN A CG 1248 O OD1 . ASN A 169 ? 1.1217 0.9217 0.8557 -0.1094 0.1008 0.0913 170 ASN A OD1 1249 N ND2 . ASN A 169 ? 1.0497 0.8661 0.8038 -0.0721 0.0913 0.0906 170 ASN A ND2 1250 N N . ASN A 170 ? 1.1836 0.9390 0.8601 -0.1414 0.1184 0.1073 171 ASN A N 1251 C CA . ASN A 170 ? 1.2440 0.9549 0.8891 -0.1623 0.1248 0.1088 171 ASN A CA 1252 C C . ASN A 170 ? 1.2666 0.9885 0.9269 -0.1765 0.1211 0.0988 171 ASN A C 1253 O O . ASN A 170 ? 1.2497 0.9465 0.8891 -0.2006 0.1257 0.0977 171 ASN A O 1254 C CB . ASN A 170 ? 1.3090 1.0178 0.9381 -0.1861 0.1324 0.1132 171 ASN A CB 1255 C CG . ASN A 170 ? 1.3498 1.0397 0.9569 -0.1734 0.1370 0.1243 171 ASN A CG 1256 O OD1 . ASN A 170 ? 1.3880 1.0283 0.9620 -0.1608 0.1407 0.1324 171 ASN A OD1 1257 N ND2 . ASN A 170 ? 1.3540 1.0839 0.9783 -0.1749 0.1371 0.1251 171 ASN A ND2 1258 N N . LYS A 171 ? 1.2522 1.0100 0.9466 -0.1622 0.1129 0.0918 172 LYS A N 1259 C CA . LYS A 171 ? 1.2495 1.0248 0.9621 -0.1729 0.1085 0.0826 172 LYS A CA 1260 C C . LYS A 171 ? 1.3165 1.0522 1.0130 -0.1633 0.1070 0.0813 172 LYS A C 1261 O O . LYS A 171 ? 1.3576 1.0541 1.0296 -0.1465 0.1098 0.0880 172 LYS A O 1262 C CB . LYS A 171 ? 1.1986 1.0313 0.9540 -0.1621 0.1012 0.0761 172 LYS A CB 1263 C CG . LYS A 171 ? 1.1629 1.0369 0.9349 -0.1699 0.1033 0.0763 172 LYS A CG 1264 C CD . LYS A 171 ? 1.1393 1.0351 0.9161 -0.1977 0.1059 0.0731 172 LYS A CD 1265 C CE . LYS A 171 ? 1.1234 1.0735 0.9268 -0.1988 0.1065 0.0715 172 LYS A CE 1266 N NZ . LYS A 171 ? 1.1635 1.1398 0.9701 -0.2264 0.1101 0.0704 172 LYS A NZ 1267 N N . ASN A 172 ? 1.3697 1.1172 1.0790 -0.1733 0.1030 0.0732 173 ASN A N 1268 C CA . ASN A 172 ? 1.4204 1.1358 1.1176 -0.1648 0.1012 0.0705 173 ASN A CA 1269 C C . ASN A 172 ? 1.3442 1.0777 1.0645 -0.1356 0.0946 0.0693 173 ASN A C 1270 O O . ASN A 172 ? 1.3484 1.0540 1.0568 -0.1231 0.0939 0.0689 173 ASN A O 1271 C CB . ASN A 172 ? 1.4888 1.2169 1.1941 -0.1865 0.0983 0.0618 173 ASN A CB 1272 C CG . ASN A 172 ? 1.6117 1.3147 1.2879 -0.2192 0.1048 0.0620 173 ASN A CG 1273 O OD1 . ASN A 172 ? 1.6753 1.3412 1.3199 -0.2258 0.1124 0.0687 173 ASN A OD1 1274 N ND2 . ASN A 172 ? 1.6368 1.3605 1.3223 -0.2409 0.1017 0.0548 173 ASN A ND2 1275 N N . PHE A 173 ? 1.1868 0.9661 0.9380 -0.1257 0.0902 0.0685 174 PHE A N 1276 C CA . PHE A 173 ? 1.0993 0.9051 0.8773 -0.1052 0.0831 0.0648 174 PHE A CA 1277 C C . PHE A 173 ? 1.0547 0.8755 0.8405 -0.0858 0.0818 0.0696 174 PHE A C 1278 O O . PHE A 173 ? 1.0433 0.8649 0.8207 -0.0888 0.0856 0.0747 174 PHE A O 1279 C CB . PHE A 173 ? 1.0151 0.8659 0.8258 -0.1135 0.0779 0.0565 174 PHE A CB 1280 C CG . PHE A 173 ? 1.0295 0.9128 0.8523 -0.1275 0.0800 0.0561 174 PHE A CG 1281 C CD1 . PHE A 173 ? 0.9953 0.9065 0.8339 -0.1166 0.0794 0.0571 174 PHE A CD1 1282 C CD2 . PHE A 173 ? 1.0322 0.9191 0.8492 -0.1524 0.0830 0.0546 174 PHE A CD2 1283 C CE1 . PHE A 173 ? 1.0107 0.9519 0.8593 -0.1279 0.0822 0.0568 174 PHE A CE1 1284 C CE2 . PHE A 173 ? 1.0298 0.9510 0.8586 -0.1646 0.0856 0.0549 174 PHE A CE2 1285 C CZ . PHE A 173 ? 0.9994 0.9471 0.8441 -0.1511 0.0855 0.0561 174 PHE A CZ 1286 N N . ASP A 174 ? 1.0692 0.9029 0.8702 -0.0674 0.0763 0.0677 175 ASP A N 1287 C CA . ASP A 174 ? 1.0821 0.9364 0.8933 -0.0508 0.0736 0.0706 175 ASP A CA 1288 C C . ASP A 174 ? 1.0187 0.9131 0.8541 -0.0577 0.0718 0.0655 175 ASP A C 1289 O O . ASP A 174 ? 0.9999 0.9143 0.8539 -0.0654 0.0694 0.0584 175 ASP A O 1290 C CB . ASP A 174 ? 1.1361 0.9970 0.9580 -0.0330 0.0682 0.0689 175 ASP A CB 1291 C CG . ASP A 174 ? 1.2001 1.0242 0.9974 -0.0204 0.0708 0.0753 175 ASP A CG 1292 O OD1 . ASP A 174 ? 1.4000 1.1884 1.1689 -0.0241 0.0771 0.0812 175 ASP A OD1 1293 O OD2 . ASP A 174 ? 1.1650 0.9951 0.9696 -0.0059 0.0671 0.0747 175 ASP A OD2 1294 N N . LYS A 175 ? 0.9237 0.8291 0.7570 -0.0542 0.0733 0.0694 176 LYS A N 1295 C CA . LYS A 175 ? 0.8793 0.8202 0.7324 -0.0574 0.0724 0.0646 176 LYS A CA 1296 C C . LYS A 175 ? 0.8136 0.7725 0.6785 -0.0422 0.0672 0.0626 176 LYS A C 1297 O O . LYS A 175 ? 0.8371 0.7861 0.6911 -0.0305 0.0659 0.0682 176 LYS A O 1298 C CB . LYS A 175 ? 0.9592 0.9011 0.8004 -0.0649 0.0779 0.0696 176 LYS A CB 1299 C CG . LYS A 175 ? 1.0014 0.9349 0.8335 -0.0847 0.0836 0.0707 176 LYS A CG 1300 C CD . LYS A 175 ? 0.9873 0.9239 0.8076 -0.0904 0.0891 0.0762 176 LYS A CD 1301 C CE . LYS A 175 ? 0.9884 0.9068 0.7905 -0.1109 0.0957 0.0800 176 LYS A CE 1302 N NZ . LYS A 175 ? 1.0057 0.9243 0.7937 -0.1150 0.1014 0.0866 176 LYS A NZ 1303 N N . LEU A 176 ? 0.7758 0.7614 0.6610 -0.0423 0.0648 0.0550 177 LEU A N 1304 C CA . LEU A 176 ? 0.8014 0.8027 0.6949 -0.0315 0.0605 0.0522 177 LEU A CA 1305 C C . LEU A 176 ? 0.7702 0.7900 0.6653 -0.0336 0.0629 0.0503 177 LEU A C 1306 O O . LEU A 176 ? 0.7435 0.7765 0.6477 -0.0399 0.0658 0.0457 177 LEU A O 1307 C CB . LEU A 176 ? 0.7976 0.8091 0.7085 -0.0287 0.0564 0.0445 177 LEU A CB 1308 C CG . LEU A 176 ? 0.7863 0.8138 0.7045 -0.0220 0.0530 0.0399 177 LEU A CG 1309 C CD1 . LEU A 176 ? 0.7857 0.8099 0.6956 -0.0136 0.0495 0.0448 177 LEU A CD1 1310 C CD2 . LEU A 176 ? 0.7501 0.7846 0.6830 -0.0207 0.0505 0.0324 177 LEU A CD2 1311 N N . TYR A 177 ? 0.7793 0.8021 0.6653 -0.0275 0.0617 0.0538 178 TYR A N 1312 C CA . TYR A 177 ? 0.8035 0.8415 0.6870 -0.0300 0.0644 0.0522 178 TYR A CA 1313 C C . TYR A 177 ? 0.7782 0.8306 0.6669 -0.0248 0.0603 0.0462 178 TYR A C 1314 O O . TYR A 177 ? 0.8372 0.8895 0.7233 -0.0186 0.0554 0.0484 178 TYR A O 1315 C CB . TYR A 177 ? 0.8212 0.8514 0.6858 -0.0296 0.0670 0.0615 178 TYR A CB 1316 C CG . TYR A 177 ? 0.8470 0.8635 0.7021 -0.0391 0.0732 0.0667 178 TYR A CG 1317 C CD1 . TYR A 177 ? 0.8603 0.8898 0.7185 -0.0486 0.0786 0.0640 178 TYR A CD1 1318 C CD2 . TYR A 177 ? 0.8534 0.8431 0.6942 -0.0389 0.0744 0.0743 178 TYR A CD2 1319 C CE1 . TYR A 177 ? 0.8948 0.9142 0.7435 -0.0599 0.0844 0.0690 178 TYR A CE1 1320 C CE2 . TYR A 177 ? 0.9014 0.8750 0.7298 -0.0504 0.0806 0.0788 178 TYR A CE2 1321 C CZ . TYR A 177 ? 0.9016 0.8915 0.7346 -0.0621 0.0853 0.0762 178 TYR A CZ 1322 O OH . TYR A 177 ? 0.8918 0.8677 0.7118 -0.0761 0.0914 0.0808 178 TYR A OH 1323 N N . ILE A 178 ? 0.7914 0.8559 0.6856 -0.0276 0.0629 0.0387 179 ILE A N 1324 C CA . ILE A 178 ? 0.7871 0.8603 0.6816 -0.0253 0.0604 0.0318 179 ILE A CA 1325 C C . ILE A 178 ? 0.8047 0.8862 0.6874 -0.0277 0.0636 0.0313 179 ILE A C 1326 O O . ILE A 178 ? 0.8637 0.9486 0.7452 -0.0309 0.0697 0.0311 179 ILE A O 1327 C CB . ILE A 178 ? 0.7963 0.8717 0.7019 -0.0248 0.0621 0.0226 179 ILE A CB 1328 C CG1 . ILE A 178 ? 0.8456 0.9143 0.7633 -0.0232 0.0594 0.0230 179 ILE A CG1 1329 C CG2 . ILE A 178 ? 0.8228 0.8998 0.7237 -0.0239 0.0599 0.0153 179 ILE A CG2 1330 C CD1 . ILE A 178 ? 0.8367 0.8998 0.7542 -0.0198 0.0530 0.0253 179 ILE A CD1 1331 N N . TRP A 179 ? 0.7860 0.8732 0.6599 -0.0269 0.0596 0.0309 180 TRP A N 1332 C CA . TRP A 179 ? 0.7845 0.8799 0.6445 -0.0297 0.0616 0.0312 180 TRP A CA 1333 C C . TRP A 179 ? 0.7836 0.8866 0.6371 -0.0316 0.0568 0.0257 180 TRP A C 1334 O O . TRP A 179 ? 0.7980 0.8998 0.6582 -0.0309 0.0523 0.0227 180 TRP A O 1335 C CB . TRP A 179 ? 0.8093 0.9043 0.6593 -0.0280 0.0614 0.0429 180 TRP A CB 1336 C CG . TRP A 179 ? 0.7883 0.8825 0.6370 -0.0218 0.0552 0.0509 180 TRP A CG 1337 C CD1 . TRP A 179 ? 0.8193 0.9002 0.6725 -0.0170 0.0546 0.0569 180 TRP A CD1 1338 C CD2 . TRP A 179 ? 0.7994 0.9081 0.6405 -0.0190 0.0493 0.0540 180 TRP A CD2 1339 N NE1 . TRP A 179 ? 0.8266 0.9119 0.6755 -0.0091 0.0493 0.0639 180 TRP A NE1 1340 C CE2 . TRP A 179 ? 0.7835 0.8888 0.6262 -0.0102 0.0457 0.0627 180 TRP A CE2 1341 C CE3 . TRP A 179 ? 0.8298 0.9554 0.6616 -0.0234 0.0469 0.0503 180 TRP A CE3 1342 C CZ2 . TRP A 179 ? 0.7910 0.9135 0.6288 -0.0043 0.0397 0.0686 180 TRP A CZ2 1343 C CZ3 . TRP A 179 ? 0.8307 0.9739 0.6574 -0.0201 0.0403 0.0558 180 TRP A CZ3 1344 C CH2 . TRP A 179 ? 0.8147 0.9585 0.6456 -0.0099 0.0367 0.0652 180 TRP A CH2 1345 N N . GLY A 180 ? 0.8093 0.9204 0.6483 -0.0355 0.0579 0.0240 181 GLY A N 1346 C CA . GLY A 180 ? 0.8503 0.9683 0.6803 -0.0409 0.0538 0.0173 181 GLY A CA 1347 C C . GLY A 180 ? 0.8956 1.0260 0.7081 -0.0456 0.0533 0.0185 181 GLY A C 1348 O O . GLY A 180 ? 0.8996 1.0323 0.7063 -0.0437 0.0569 0.0247 181 GLY A O 1349 N N . ILE A 181 ? 0.9087 1.0471 0.7114 -0.0532 0.0489 0.0123 182 ILE A N 1350 C CA . ILE A 181 ? 0.8961 1.0482 0.6799 -0.0602 0.0475 0.0115 182 ILE A CA 1351 C C . ILE A 181 ? 0.8855 1.0283 0.6540 -0.0712 0.0498 -0.0029 182 ILE A C 1352 O O . ILE A 181 ? 0.8367 0.9687 0.6085 -0.0748 0.0489 -0.0103 182 ILE A O 1353 C CB . ILE A 181 ? 0.8890 1.0659 0.6719 -0.0601 0.0383 0.0208 182 ILE A CB 1354 C CG1 . ILE A 181 ? 0.9587 1.1531 0.7234 -0.0644 0.0370 0.0241 182 ILE A CG1 1355 C CG2 . ILE A 181 ? 0.8990 1.0837 0.6835 -0.0682 0.0321 0.0147 182 ILE A CG2 1356 C CD1 . ILE A 181 ? 1.0154 1.2396 0.7789 -0.0618 0.0280 0.0351 182 ILE A CD1 1357 N N . HIS A 182 ? 0.9176 1.0617 0.6671 -0.0766 0.0536 -0.0071 183 HIS A N 1358 C CA . HIS A 182 ? 0.9613 1.0915 0.6900 -0.0873 0.0572 -0.0214 183 HIS A CA 1359 C C . HIS A 182 ? 0.9715 1.1194 0.6823 -0.1018 0.0499 -0.0239 183 HIS A C 1360 O O . HIS A 182 ? 0.9920 1.1598 0.6941 -0.1035 0.0473 -0.0178 183 HIS A O 1361 C CB . HIS A 182 ? 1.0096 1.1278 0.7256 -0.0843 0.0675 -0.0262 183 HIS A CB 1362 C CG . HIS A 182 ? 1.0899 1.1893 0.7797 -0.0936 0.0727 -0.0409 183 HIS A CG 1363 N ND1 . HIS A 182 ? 1.1311 1.2289 0.7984 -0.0972 0.0785 -0.0456 183 HIS A ND1 1364 C CD2 . HIS A 182 ? 1.1431 1.2210 0.8219 -0.1004 0.0738 -0.0521 183 HIS A CD2 1365 C CE1 . HIS A 182 ? 1.2046 1.2792 0.8474 -0.1055 0.0831 -0.0596 183 HIS A CE1 1366 N NE2 . HIS A 182 ? 1.1742 1.2351 0.8227 -0.1079 0.0804 -0.0637 183 HIS A NE2 1367 N N . HIS A 183 ? 0.9955 1.1368 0.6998 -0.1131 0.0467 -0.0324 184 HIS A N 1368 C CA . HIS A 183 ? 1.0196 1.1755 0.7029 -0.1318 0.0406 -0.0379 184 HIS A CA 1369 C C . HIS A 183 ? 1.0643 1.1919 0.7175 -0.1422 0.0487 -0.0531 184 HIS A C 1370 O O . HIS A 183 ? 1.0528 1.1480 0.6991 -0.1434 0.0548 -0.0632 184 HIS A O 1371 C CB . HIS A 183 ? 1.0160 1.1772 0.7050 -0.1414 0.0339 -0.0401 184 HIS A CB 1372 C CG . HIS A 183 ? 0.9959 1.1764 0.7142 -0.1290 0.0280 -0.0272 184 HIS A CG 1373 N ND1 . HIS A 183 ? 1.0196 1.2392 0.7463 -0.1276 0.0189 -0.0154 184 HIS A ND1 1374 C CD2 . HIS A 183 ? 1.0271 1.1928 0.7664 -0.1170 0.0300 -0.0245 184 HIS A CD2 1375 C CE1 . HIS A 183 ? 1.0162 1.2415 0.7666 -0.1146 0.0164 -0.0061 184 HIS A CE1 1376 N NE2 . HIS A 183 ? 1.0239 1.2167 0.7822 -0.1091 0.0228 -0.0119 184 HIS A NE2 1377 N N . PRO A 184 ? 1.1026 1.2397 0.7353 -0.1487 0.0496 -0.0547 185 PRO A N 1378 C CA . PRO A 184 ? 1.1437 1.2499 0.7447 -0.1573 0.0587 -0.0697 185 PRO A CA 1379 C C . PRO A 184 ? 1.1820 1.2859 0.7559 -0.1819 0.0541 -0.0805 185 PRO A C 1380 O O . PRO A 184 ? 1.1872 1.3231 0.7685 -0.1924 0.0430 -0.0749 185 PRO A O 1381 C CB . PRO A 184 ? 1.1701 1.2892 0.7615 -0.1532 0.0618 -0.0658 185 PRO A CB 1382 C CG . PRO A 184 ? 1.1521 1.3061 0.7706 -0.1420 0.0545 -0.0480 185 PRO A CG 1383 C CD . PRO A 184 ? 1.1028 1.2738 0.7386 -0.1454 0.0445 -0.0428 185 PRO A CD 1384 N N . SER A 185 ? 1.2658 1.3324 0.8066 -0.1910 0.0630 -0.0958 186 SER A N 1385 C CA . SER A 185 ? 1.3226 1.3765 0.8309 -0.2175 0.0607 -0.1086 186 SER A CA 1386 C C . SER A 185 ? 1.3599 1.4330 0.8389 -0.2369 0.0569 -0.1130 186 SER A C 1387 O O . SER A 185 ? 1.4052 1.4791 0.8591 -0.2628 0.0522 -0.1218 186 SER A O 1388 C CB . SER A 185 ? 1.3508 1.3461 0.8330 -0.2171 0.0735 -0.1235 186 SER A CB 1389 O OG . SER A 185 ? 1.3433 1.3179 0.8183 -0.1994 0.0854 -0.1259 186 SER A OG 1390 N N . SER A 186 ? 1.3164 1.4051 0.7970 -0.2260 0.0590 -0.1071 187 SER A N 1391 C CA . SER A 186 ? 1.3296 1.4378 0.7827 -0.2425 0.0556 -0.1104 187 SER A CA 1392 C C . SER A 186 ? 1.3018 1.4485 0.7734 -0.2279 0.0520 -0.0951 187 SER A C 1393 O O . SER A 186 ? 1.2313 1.3724 0.7249 -0.2050 0.0579 -0.0870 187 SER A O 1394 C CB . SER A 186 ? 1.4119 1.4726 0.8220 -0.2502 0.0684 -0.1281 187 SER A CB 1395 O OG . SER A 186 ? 1.3712 1.4088 0.7869 -0.2261 0.0809 -0.1272 187 SER A OG 1396 N N . ASN A 187 ? 1.3197 1.5055 0.7801 -0.2420 0.0425 -0.0911 188 ASN A N 1397 C CA . ASN A 187 ? 1.2421 1.4621 0.7119 -0.2301 0.0394 -0.0770 188 ASN A CA 1398 C C . ASN A 187 ? 1.2401 1.4315 0.6954 -0.2193 0.0525 -0.0819 188 ASN A C 1399 O O . ASN A 187 ? 1.1542 1.3554 0.6277 -0.2005 0.0552 -0.0698 188 ASN A O 1400 C CB . ASN A 187 ? 1.2309 1.4939 0.6825 -0.2495 0.0282 -0.0748 188 ASN A CB 1401 C CG . ASN A 187 ? 1.2519 1.5491 0.7156 -0.2627 0.0153 -0.0708 188 ASN A CG 1402 O OD1 . ASN A 187 ? 1.2985 1.6046 0.7374 -0.2895 0.0102 -0.0810 188 ASN A OD1 1403 N ND2 . ASN A 187 ? 1.1756 1.4912 0.6761 -0.2448 0.0107 -0.0564 188 ASN A ND2 1404 N N . GLN A 188 ? 1.3772 1.5317 0.7975 -0.2319 0.0612 -0.0998 189 GLN A N 1405 C CA . GLN A 188 ? 1.5057 1.6308 0.9087 -0.2212 0.0754 -0.1063 189 GLN A CA 1406 C C . GLN A 188 ? 1.4627 1.5682 0.8951 -0.1953 0.0847 -0.1008 189 GLN A C 1407 O O . GLN A 188 ? 1.4311 1.5380 0.8695 -0.1800 0.0923 -0.0953 189 GLN A O 1408 C CB . GLN A 188 ? 1.6208 1.7045 0.9760 -0.2386 0.0842 -0.1275 189 GLN A CB 1409 C CG . GLN A 188 ? 1.7225 1.7743 1.0647 -0.2533 0.0840 -0.1401 189 GLN A CG 1410 C CD . GLN A 188 ? 1.7566 1.8290 1.0772 -0.2852 0.0719 -0.1455 189 GLN A CD 1411 O OE1 . GLN A 188 ? 1.6651 1.7654 1.0077 -0.2925 0.0603 -0.1384 189 GLN A OE1 1412 N NE2 . GLN A 188 ? 1.8243 1.8845 1.1006 -0.3048 0.0748 -0.1583 189 GLN A NE2 1413 N N . GLU A 189 ? 1.4783 1.5692 0.9296 -0.1915 0.0836 -0.1016 190 GLU A N 1414 C CA . GLU A 189 ? 1.4512 1.5294 0.9324 -0.1684 0.0906 -0.0954 190 GLU A CA 1415 C C . GLU A 189 ? 1.3409 1.4561 0.8591 -0.1558 0.0829 -0.0760 190 GLU A C 1416 O O . GLU A 189 ? 1.2923 1.4068 0.8283 -0.1388 0.0895 -0.0687 190 GLU A O 1417 C CB . GLU A 189 ? 1.5125 1.5608 0.9990 -0.1679 0.0926 -0.1029 190 GLU A CB 1418 C CG . GLU A 189 ? 1.5874 1.6082 1.0863 -0.1462 0.1051 -0.1042 190 GLU A CG 1419 C CD . GLU A 189 ? 1.6353 1.6486 1.1620 -0.1381 0.1024 -0.1005 190 GLU A CD 1420 O OE1 . GLU A 189 ? 1.7160 1.7350 1.2466 -0.1507 0.0928 -0.1005 190 GLU A OE1 1421 O OE2 . GLU A 189 ? 1.5427 1.5464 1.0877 -0.1192 0.1101 -0.0975 190 GLU A OE2 1422 N N . GLN A 190 ? 1.2551 1.4026 0.7829 -0.1644 0.0695 -0.0674 191 GLN A N 1423 C CA . GLN A 190 ? 1.1718 1.3521 0.7272 -0.1524 0.0625 -0.0487 191 GLN A CA 1424 C C . GLN A 190 ? 1.2038 1.3928 0.7534 -0.1441 0.0680 -0.0415 191 GLN A C 1425 O O . GLN A 190 ? 1.1616 1.3457 0.7299 -0.1285 0.0739 -0.0334 191 GLN A O 1426 C CB . GLN A 190 ? 1.2023 1.4194 0.7595 -0.1634 0.0482 -0.0416 191 GLN A CB 1427 C CG . GLN A 190 ? 1.2308 1.4822 0.8070 -0.1508 0.0413 -0.0218 191 GLN A CG 1428 C CD . GLN A 190 ? 1.2248 1.4727 0.8341 -0.1338 0.0407 -0.0110 191 GLN A CD 1429 O OE1 . GLN A 190 ? 1.1934 1.4280 0.8150 -0.1348 0.0400 -0.0163 191 GLN A OE1 1430 N NE2 . GLN A 190 ? 1.2311 1.4892 0.8523 -0.1189 0.0411 0.0041 191 GLN A NE2 1431 N N . THR A 191 ? 1.2469 1.4489 0.7689 -0.1561 0.0662 -0.0448 192 THR A N 1432 C CA . THR A 191 ? 1.2227 1.4368 0.7363 -0.1501 0.0702 -0.0370 192 THR A CA 1433 C C . THR A 191 ? 1.2154 1.4014 0.7259 -0.1399 0.0853 -0.0431 192 THR A C 1434 O O . THR A 191 ? 1.1708 1.3637 0.6918 -0.1283 0.0900 -0.0324 192 THR A O 1435 C CB . THR A 191 ? 1.2813 1.5155 0.7635 -0.1663 0.0650 -0.0405 192 THR A CB 1436 O OG1 . THR A 191 ? 1.3631 1.5727 0.8161 -0.1824 0.0693 -0.0601 192 THR A OG1 1437 C CG2 . THR A 191 ? 1.2711 1.5451 0.7609 -0.1726 0.0495 -0.0297 192 THR A CG2 1438 N N . LYS A 192 ? 1.2275 1.3820 0.7236 -0.1436 0.0934 -0.0595 193 LYS A N 1439 C CA . LYS A 192 ? 1.2611 1.3909 0.7556 -0.1313 0.1084 -0.0653 193 LYS A CA 1440 C C . LYS A 192 ? 1.2594 1.3934 0.7906 -0.1142 0.1108 -0.0534 193 LYS A C 1441 O O . LYS A 192 ? 1.2765 1.4146 0.8132 -0.1045 0.1191 -0.0478 193 LYS A O 1442 C CB . LYS A 192 ? 1.3158 1.4079 0.7894 -0.1352 0.1162 -0.0838 193 LYS A CB 1443 C CG . LYS A 192 ? 1.4419 1.5102 0.8933 -0.1271 0.1324 -0.0939 193 LYS A CG 1444 C CD . LYS A 192 ? 1.4842 1.5402 0.9583 -0.1067 0.1432 -0.0921 193 LYS A CD 1445 C CE . LYS A 192 ? 1.5644 1.5794 1.0175 -0.1015 0.1545 -0.1079 193 LYS A CE 1446 N NZ . LYS A 192 ? 1.5582 1.5554 1.0169 -0.1072 0.1477 -0.1123 193 LYS A NZ 1447 N N . LEU A 193 ? 1.2875 1.4216 0.8426 -0.1120 0.1036 -0.0494 194 LEU A N 1448 C CA . LEU A 193 ? 1.2857 1.4196 0.8731 -0.0977 0.1061 -0.0403 194 LEU A CA 1449 C C . LEU A 193 ? 1.2475 1.4058 0.8527 -0.0934 0.0999 -0.0224 194 LEU A C 1450 O O . LEU A 193 ? 1.1166 1.2767 0.7376 -0.0840 0.1055 -0.0141 194 LEU A O 1451 C CB . LEU A 193 ? 1.3454 1.4664 0.9491 -0.0968 0.1017 -0.0441 194 LEU A CB 1452 C CG . LEU A 193 ? 1.4202 1.5111 1.0200 -0.0915 0.1109 -0.0570 194 LEU A CG 1453 C CD1 . LEU A 193 ? 1.4235 1.5080 1.0239 -0.0786 0.1247 -0.0583 194 LEU A CD1 1454 C CD2 . LEU A 193 ? 1.4867 1.5567 1.0543 -0.1046 0.1113 -0.0722 194 LEU A CD2 1455 N N . TYR A 194 ? 1.2506 1.4272 0.8521 -0.1004 0.0885 -0.0163 195 TYR A N 1456 C CA . TYR A 194 ? 1.2644 1.4612 0.8778 -0.0949 0.0821 0.0011 195 TYR A CA 1457 C C . TYR A 194 ? 1.4073 1.6244 0.9973 -0.1026 0.0775 0.0043 195 TYR A C 1458 O O . TYR A 194 ? 1.6152 1.8373 1.1878 -0.1146 0.0728 -0.0052 195 TYR A O 1459 C CB . TYR A 194 ? 1.1860 1.3888 0.8185 -0.0931 0.0720 0.0063 195 TYR A CB 1460 C CG . TYR A 194 ? 1.1135 1.2954 0.7609 -0.0912 0.0750 -0.0030 195 TYR A CG 1461 C CD1 . TYR A 194 ? 1.1078 1.2763 0.7735 -0.0811 0.0822 -0.0004 195 TYR A CD1 1462 C CD2 . TYR A 194 ? 1.1060 1.2816 0.7473 -0.1003 0.0709 -0.0143 195 TYR A CD2 1463 C CE1 . TYR A 194 ? 1.0586 1.2102 0.7379 -0.0780 0.0846 -0.0080 195 TYR A CE1 1464 C CE2 . TYR A 194 ? 1.0880 1.2426 0.7412 -0.0975 0.0740 -0.0220 195 TYR A CE2 1465 C CZ . TYR A 194 ? 1.0588 1.2023 0.7314 -0.0853 0.0807 -0.0185 195 TYR A CZ 1466 O OH . TYR A 194 ? 1.0450 1.1699 0.7295 -0.0812 0.0836 -0.0252 195 TYR A OH 1467 N N . ILE A 195 ? 1.3637 1.5924 0.9504 -0.0972 0.0788 0.0173 196 ILE A N 1468 C CA . ILE A 195 ? 1.3213 1.5694 0.8827 -0.1043 0.0755 0.0195 196 ILE A CA 1469 C C . ILE A 195 ? 1.2510 1.5242 0.8106 -0.1097 0.0617 0.0238 196 ILE A C 1470 O O . ILE A 195 ? 1.1938 1.4763 0.7348 -0.1233 0.0574 0.0136 196 ILE A O 1471 C CB . ILE A 195 ? 1.3428 1.5963 0.8982 -0.0973 0.0809 0.0331 196 ILE A CB 1472 C CG1 . ILE A 195 ? 1.3583 1.6038 0.8927 -0.1027 0.0918 0.0227 196 ILE A CG1 1473 C CG2 . ILE A 195 ? 1.3615 1.6416 0.9063 -0.0959 0.0716 0.0480 196 ILE A CG2 1474 C CD1 . ILE A 195 ? 1.3438 1.5652 0.8855 -0.1012 0.1025 0.0087 196 ILE A CD1 1475 N N . GLN A 196 ? 1.2529 1.5362 0.8315 -0.0994 0.0551 0.0380 197 GLN A N 1476 C CA . GLN A 196 ? 1.2939 1.6077 0.8730 -0.1010 0.0423 0.0453 197 GLN A CA 1477 C C . GLN A 196 ? 1.2757 1.5929 0.8529 -0.1158 0.0369 0.0302 197 GLN A C 1478 O O . GLN A 196 ? 1.2550 1.5452 0.8366 -0.1201 0.0428 0.0167 197 GLN A O 1479 C CB . GLN A 196 ? 1.2958 1.6124 0.8966 -0.0847 0.0385 0.0617 197 GLN A CB 1480 C CG . GLN A 196 ? 1.3522 1.6686 0.9475 -0.0715 0.0419 0.0794 197 GLN A CG 1481 C CD . GLN A 196 ? 1.3490 1.6343 0.9471 -0.0683 0.0545 0.0785 197 GLN A CD 1482 O OE1 . GLN A 196 ? 1.3910 1.6550 1.0015 -0.0713 0.0605 0.0671 197 GLN A OE1 1483 N NE2 . GLN A 196 ? 1.3638 1.6482 0.9497 -0.0622 0.0586 0.0912 197 GLN A NE2 1484 N N . GLU A 197 ? 1.3459 1.6971 0.9147 -0.1242 0.0259 0.0327 198 GLU A N 1485 C CA . GLU A 197 ? 1.3855 1.7428 0.9502 -0.1418 0.0201 0.0191 198 GLU A CA 1486 C C . GLU A 197 ? 1.3150 1.6761 0.9058 -0.1360 0.0146 0.0230 198 GLU A C 1487 O O . GLU A 197 ? 1.2946 1.6479 0.8858 -0.1489 0.0131 0.0106 198 GLU A O 1488 C CB . GLU A 197 ? 1.4010 1.7978 0.9441 -0.1573 0.0104 0.0190 198 GLU A CB 1489 C CG . GLU A 197 ? 1.4450 1.8317 0.9568 -0.1699 0.0162 0.0081 198 GLU A CG 1490 C CD . GLU A 197 ? 1.4921 1.9226 0.9832 -0.1812 0.0065 0.0129 198 GLU A CD 1491 O OE1 . GLU A 197 ? 1.5419 2.0099 1.0383 -0.1882 -0.0050 0.0174 198 GLU A OE1 1492 O OE2 . GLU A 197 ? 1.5236 1.9538 0.9932 -0.1830 0.0106 0.0127 198 GLU A OE2 1493 N N . SER A 198 ? 1.2858 1.6572 0.8956 -0.1169 0.0123 0.0403 199 SER A N 1494 C CA . SER A 198 ? 1.2462 1.6176 0.8805 -0.1084 0.0088 0.0448 199 SER A CA 1495 C C . SER A 198 ? 1.2350 1.5751 0.8858 -0.0902 0.0170 0.0520 199 SER A C 1496 O O . SER A 198 ? 1.1712 1.5079 0.8175 -0.0790 0.0208 0.0632 199 SER A O 1497 C CB . SER A 198 ? 1.2281 1.6457 0.8679 -0.1025 -0.0026 0.0594 199 SER A CB 1498 O OG . SER A 198 ? 1.2204 1.6378 0.8833 -0.0933 -0.0053 0.0637 199 SER A OG 1499 N N . GLY A 199 ? 1.2481 1.5650 0.9162 -0.0889 0.0198 0.0453 200 GLY A N 1500 C CA . GLY A 199 ? 1.1815 1.4716 0.8663 -0.0741 0.0264 0.0513 200 GLY A CA 1501 C C . GLY A 199 ? 1.1261 1.4268 0.8273 -0.0599 0.0210 0.0650 200 GLY A C 1502 O O . GLY A 199 ? 1.1464 1.4785 0.8483 -0.0598 0.0121 0.0705 200 GLY A O 1503 N N . ARG A 200 ? 1.1087 1.3839 0.8221 -0.0482 0.0267 0.0705 201 ARG A N 1504 C CA . ARG A 200 ? 1.0851 1.3608 0.8118 -0.0332 0.0238 0.0827 201 ARG A CA 1505 C C . ARG A 200 ? 1.0107 1.2500 0.7478 -0.0275 0.0321 0.0825 201 ARG A C 1506 O O . ARG A 200 ? 0.9321 1.1540 0.6631 -0.0311 0.0397 0.0796 201 ARG A O 1507 C CB . ARG A 200 ? 1.1324 1.4293 0.8480 -0.0201 0.0200 0.1007 201 ARG A CB 1508 C CG . ARG A 200 ? 1.2061 1.4852 0.9260 -0.0009 0.0228 0.1157 201 ARG A CG 1509 C CD . ARG A 200 ? 1.2551 1.5566 0.9615 0.0145 0.0188 0.1338 201 ARG A CD 1510 N NE . ARG A 200 ? 1.3746 1.6477 1.0673 0.0255 0.0264 0.1461 201 ARG A NE 1511 C CZ . ARG A 200 ? 1.4266 1.7057 1.0992 0.0282 0.0280 0.1552 201 ARG A CZ 1512 N NH1 . ARG A 200 ? 1.3973 1.7126 1.0610 0.0213 0.0219 0.1538 201 ARG A NH1 1513 N NH2 . ARG A 200 ? 1.3972 1.6449 1.0562 0.0369 0.0358 0.1663 201 ARG A NH2 1514 N N . VAL A 201 ? 0.9340 1.1643 0.6865 -0.0201 0.0307 0.0847 202 VAL A N 1515 C CA . VAL A 201 ? 0.9428 1.1418 0.7043 -0.0149 0.0375 0.0861 202 VAL A CA 1516 C C . VAL A 201 ? 0.9422 1.1375 0.7089 -0.0003 0.0349 0.0980 202 VAL A C 1517 O O . VAL A 201 ? 0.8685 1.0797 0.6443 0.0024 0.0287 0.0973 202 VAL A O 1518 C CB . VAL A 201 ? 0.9520 1.1369 0.7279 -0.0236 0.0400 0.0714 202 VAL A CB 1519 C CG1 . VAL A 201 ? 0.9726 1.1310 0.7592 -0.0183 0.0453 0.0739 202 VAL A CG1 1520 C CG2 . VAL A 201 ? 0.9696 1.1529 0.7377 -0.0353 0.0446 0.0597 202 VAL A CG2 1521 N N . THR A 202 ? 0.9761 1.1492 0.7350 0.0087 0.0402 0.1090 203 THR A N 1522 C CA . THR A 202 ? 0.9706 1.1329 0.7298 0.0241 0.0394 0.1204 203 THR A CA 1523 C C . THR A 202 ? 0.9553 1.0799 0.7166 0.0233 0.0468 0.1200 203 THR A C 1524 O O . THR A 202 ? 0.9623 1.0671 0.7110 0.0211 0.0534 0.1248 203 THR A O 1525 C CB . THR A 202 ? 0.9688 1.1393 0.7090 0.0393 0.0384 0.1375 203 THR A CB 1526 O OG1 . THR A 202 ? 0.9506 1.1631 0.6904 0.0400 0.0302 0.1384 203 THR A OG1 1527 C CG2 . THR A 202 ? 0.9959 1.1484 0.7334 0.0574 0.0395 0.1488 203 THR A CG2 1528 N N . VAL A 203 ? 0.9413 1.0575 0.7178 0.0238 0.0456 0.1144 204 VAL A N 1529 C CA . VAL A 203 ? 0.9154 0.9990 0.6949 0.0216 0.0515 0.1131 204 VAL A CA 1530 C C . VAL A 203 ? 0.8991 0.9661 0.6717 0.0369 0.0515 0.1237 204 VAL A C 1531 O O . VAL A 203 ? 0.9310 1.0133 0.7116 0.0457 0.0461 0.1244 204 VAL A O 1532 C CB . VAL A 203 ? 0.8970 0.9819 0.6972 0.0114 0.0506 0.0987 204 VAL A CB 1533 C CG1 . VAL A 203 ? 0.9126 0.9681 0.7164 0.0090 0.0556 0.0980 204 VAL A CG1 1534 C CG2 . VAL A 203 ? 0.8937 0.9921 0.6973 -0.0011 0.0519 0.0883 204 VAL A CG2 1535 N N . SER A 204 ? 0.9559 0.9903 0.7115 0.0398 0.0582 0.1322 205 SER A N 1536 C CA . SER A 204 ? 0.9803 0.9914 0.7217 0.0564 0.0601 0.1436 205 SER A CA 1537 C C . SER A 204 ? 1.0287 0.9960 0.7605 0.0507 0.0676 0.1438 205 SER A C 1538 O O . SER A 204 ? 1.0558 1.0121 0.7888 0.0340 0.0720 0.1380 205 SER A O 1539 C CB . SER A 204 ? 0.9699 0.9825 0.6880 0.0705 0.0612 0.1587 205 SER A CB 1540 O OG . SER A 204 ? 1.0116 1.0130 0.7165 0.0599 0.0664 0.1604 205 SER A OG 1541 N N . THR A 205 ? 1.0421 0.9860 0.7635 0.0648 0.0691 0.1505 206 THR A N 1542 C CA . THR A 205 ? 1.0549 0.9510 0.7579 0.0620 0.0768 0.1534 206 THR A CA 1543 C C . THR A 205 ? 1.1033 0.9748 0.7774 0.0849 0.0805 0.1692 206 THR A C 1544 O O . THR A 205 ? 1.1015 0.9990 0.7731 0.1009 0.0767 0.1775 206 THR A O 1545 C CB . THR A 205 ? 1.0342 0.9228 0.7534 0.0568 0.0753 0.1434 206 THR A CB 1546 O OG1 . THR A 205 ? 1.0465 0.9539 0.7748 0.0743 0.0699 0.1451 206 THR A OG1 1547 C CG2 . THR A 205 ? 1.0086 0.9217 0.7546 0.0375 0.0721 0.1292 206 THR A CG2 1548 N N . LYS A 206 ? 1.1706 0.9921 0.8212 0.0867 0.0880 0.1734 207 LYS A N 1549 C CA . LYS A 206 ? 1.2198 1.0103 0.8393 0.1113 0.0930 0.1882 207 LYS A CA 1550 C C . LYS A 206 ? 1.1834 0.9979 0.8142 0.1342 0.0877 0.1906 207 LYS A C 1551 O O . LYS A 206 ? 1.2022 1.0113 0.8133 0.1599 0.0898 0.2044 207 LYS A O 1552 C CB . LYS A 206 ? 1.2958 1.0225 0.8858 0.1055 0.1028 0.1896 207 LYS A CB 1553 C CG . LYS A 206 ? 1.4071 1.1022 0.9748 0.0863 0.1103 0.1920 207 LYS A CG 1554 C CD . LYS A 206 ? 1.5314 1.1570 1.0589 0.0858 0.1210 0.1973 207 LYS A CD 1555 C CE . LYS A 206 ? 1.6158 1.2126 1.1310 0.0545 0.1273 0.1923 207 LYS A CE 1556 N NZ . LYS A 206 ? 1.6557 1.2199 1.1667 0.0401 0.1302 0.1831 207 LYS A NZ 1557 N N . ARG A 207 ? 1.1429 0.9850 0.8048 0.1258 0.0813 0.1780 208 ARG A N 1558 C CA . ARG A 207 ? 1.2044 1.0633 0.8761 0.1444 0.0777 0.1792 208 ARG A CA 1559 C C . ARG A 207 ? 1.1194 1.0405 0.8246 0.1424 0.0672 0.1728 208 ARG A C 1560 O O . ARG A 207 ? 1.1049 1.0486 0.8207 0.1562 0.0635 0.1739 208 ARG A O 1561 C CB . ARG A 207 ? 1.2869 1.1117 0.9585 0.1378 0.0810 0.1707 208 ARG A CB 1562 C CG . ARG A 207 ? 1.2770 1.1039 0.9694 0.1085 0.0790 0.1553 208 ARG A CG 1563 C CD . ARG A 207 ? 1.4001 1.1988 1.0929 0.1030 0.0812 0.1475 208 ARG A CD 1564 N NE . ARG A 207 ? 1.5031 1.3202 1.2076 0.1204 0.0774 0.1474 208 ARG A NE 1565 C CZ . ARG A 207 ? 1.4428 1.3043 1.1794 0.1168 0.0693 0.1393 208 ARG A CZ 1566 N NH1 . ARG A 207 ? 1.3943 1.2848 1.1544 0.0978 0.0641 0.1299 208 ARG A NH1 1567 N NH2 . ARG A 207 ? 1.4395 1.3152 1.1830 0.1327 0.0670 0.1407 208 ARG A NH2 1568 N N . SER A 208 ? 1.0859 1.0340 0.8060 0.1248 0.0630 0.1661 209 SER A N 1569 C CA . SER A 208 ? 1.0398 1.0399 0.7881 0.1186 0.0539 0.1581 209 SER A CA 1570 C C . SER A 208 ? 0.9793 1.0024 0.7320 0.1045 0.0513 0.1548 209 SER A C 1571 O O . SER A 208 ? 1.0123 1.0117 0.7528 0.0948 0.0565 0.1551 209 SER A O 1572 C CB . SER A 208 ? 0.9992 1.0000 0.7706 0.1043 0.0515 0.1434 209 SER A CB 1573 O OG . SER A 208 ? 0.9892 0.9851 0.7690 0.0823 0.0523 0.1329 209 SER A OG 1574 N N . GLN A 209 ? 0.9689 1.0384 0.7380 0.1021 0.0436 0.1510 210 GLN A N 1575 C CA . GLN A 209 ? 0.9764 1.0712 0.7480 0.0893 0.0406 0.1473 210 GLN A CA 1576 C C . GLN A 209 ? 0.9757 1.1128 0.7684 0.0795 0.0324 0.1371 210 GLN A C 1577 O O . GLN A 209 ? 0.9366 1.0942 0.7394 0.0870 0.0280 0.1378 210 GLN A O 1578 C CB . GLN A 209 ? 0.9626 1.0685 0.7141 0.1034 0.0408 0.1621 210 GLN A CB 1579 C CG . GLN A 209 ? 0.9820 1.1168 0.7324 0.1250 0.0363 0.1732 210 GLN A CG 1580 C CD . GLN A 209 ? 1.0140 1.1758 0.7494 0.1370 0.0340 0.1865 210 GLN A CD 1581 O OE1 . GLN A 209 ? 1.0520 1.2081 0.7758 0.1292 0.0359 0.1878 210 GLN A OE1 1582 N NE2 . GLN A 209 ? 1.0596 1.2543 0.7952 0.1567 0.0298 0.1971 210 GLN A NE2 1583 N N . GLN A 210 ? 0.9823 1.1310 0.7795 0.0622 0.0311 0.1277 211 GLN A N 1584 C CA . GLN A 210 ? 0.9739 1.1566 0.7848 0.0504 0.0245 0.1175 211 GLN A CA 1585 C C . GLN A 210 ? 1.0130 1.2094 0.8151 0.0395 0.0240 0.1148 211 GLN A C 1586 O O . GLN A 210 ? 1.0447 1.2188 0.8418 0.0314 0.0296 0.1107 211 GLN A O 1587 C CB . GLN A 210 ? 0.9866 1.1559 0.8138 0.0372 0.0252 0.1029 211 GLN A CB 1588 C CG . GLN A 210 ? 1.0483 1.1855 0.8802 0.0432 0.0294 0.1034 211 GLN A CG 1589 C CD . GLN A 210 ? 1.0831 1.2087 0.9297 0.0296 0.0305 0.0894 211 GLN A CD 1590 O OE1 . GLN A 210 ? 1.0286 1.1285 0.8749 0.0243 0.0358 0.0861 211 GLN A OE1 1591 N NE2 . GLN A 210 ? 1.1064 1.2521 0.9647 0.0233 0.0255 0.0815 211 GLN A NE2 1592 N N . THR A 211 ? 0.9705 1.2056 0.7700 0.0388 0.0174 0.1172 212 THR A N 1593 C CA . THR A 211 ? 0.9542 1.2057 0.7438 0.0274 0.0161 0.1138 212 THR A CA 1594 C C . THR A 211 ? 0.9608 1.2359 0.7584 0.0096 0.0107 0.0999 212 THR A C 1595 O O . THR A 211 ? 0.9509 1.2512 0.7569 0.0100 0.0048 0.1001 212 THR A O 1596 C CB . THR A 211 ? 1.0037 1.2820 0.7786 0.0401 0.0128 0.1290 212 THR A CB 1597 O OG1 . THR A 211 ? 1.0060 1.2563 0.7691 0.0574 0.0188 0.1425 212 THR A OG1 1598 C CG2 . THR A 211 ? 1.0394 1.3346 0.8023 0.0272 0.0115 0.1251 212 THR A CG2 1599 N N . ILE A 212 ? 1.0154 1.2805 0.8086 -0.0061 0.0135 0.0879 213 ILE A N 1600 C CA . ILE A 212 ? 1.0220 1.3028 0.8157 -0.0240 0.0097 0.0744 213 ILE A CA 1601 C C . ILE A 212 ? 1.0171 1.3108 0.7931 -0.0351 0.0093 0.0708 213 ILE A C 1602 O O . ILE A 212 ? 0.9658 1.2426 0.7327 -0.0335 0.0151 0.0721 213 ILE A O 1603 C CB . ILE A 212 ? 1.0618 1.3130 0.8644 -0.0334 0.0144 0.0600 213 ILE A CB 1604 C CG1 . ILE A 212 ? 1.1083 1.3420 0.9273 -0.0229 0.0157 0.0630 213 ILE A CG1 1605 C CG2 . ILE A 212 ? 1.0836 1.3469 0.8830 -0.0511 0.0106 0.0471 213 ILE A CG2 1606 C CD1 . ILE A 212 ? 1.1033 1.3606 0.9314 -0.0183 0.0091 0.0676 213 ILE A CD1 1607 N N . ILE A 213 ? 1.0237 1.3481 0.7942 -0.0479 0.0025 0.0660 214 ILE A N 1608 C CA . ILE A 213 ? 1.0478 1.3862 0.7993 -0.0616 0.0013 0.0606 214 ILE A CA 1609 C C . ILE A 213 ? 1.0288 1.3553 0.7747 -0.0824 0.0023 0.0423 214 ILE A C 1610 O O . ILE A 213 ? 1.0947 1.4290 0.8483 -0.0898 -0.0016 0.0374 214 ILE A O 1611 C CB . ILE A 213 ? 1.1274 1.5145 0.8721 -0.0609 -0.0077 0.0709 214 ILE A CB 1612 C CG1 . ILE A 213 ? 1.1893 1.5863 0.9397 -0.0361 -0.0085 0.0905 214 ILE A CG1 1613 C CG2 . ILE A 213 ? 1.1794 1.5795 0.9023 -0.0731 -0.0084 0.0674 214 ILE A CG2 1614 C CD1 . ILE A 213 ? 1.2316 1.6487 0.9982 -0.0256 -0.0134 0.0978 214 ILE A CD1 1615 N N . PRO A 214 ? 1.0366 1.3414 0.7676 -0.0913 0.0086 0.0321 215 PRO A N 1616 C CA . PRO A 214 ? 1.0686 1.3548 0.7899 -0.1092 0.0111 0.0146 215 PRO A CA 1617 C C . PRO A 214 ? 1.0743 1.3875 0.7776 -0.1295 0.0042 0.0083 215 PRO A C 1618 O O . PRO A 214 ? 1.1201 1.4670 0.8152 -0.1305 -0.0014 0.0163 215 PRO A O 1619 C CB . PRO A 214 ? 1.0466 1.3011 0.7567 -0.1083 0.0213 0.0072 215 PRO A CB 1620 C CG . PRO A 214 ? 1.0535 1.3166 0.7642 -0.0952 0.0228 0.0203 215 PRO A CG 1621 C CD . PRO A 214 ? 1.0340 1.3258 0.7561 -0.0841 0.0150 0.0362 215 PRO A CD 1622 N N . ASN A 215 ? 1.1046 1.4013 0.7996 -0.1463 0.0052 -0.0059 216 ASN A N 1623 C CA . ASN A 215 ? 1.1870 1.5060 0.8640 -0.1700 -0.0011 -0.0134 216 ASN A CA 1624 C C . ASN A 215 ? 1.2315 1.5137 0.8804 -0.1868 0.0062 -0.0313 216 ASN A C 1625 O O . ASN A 215 ? 1.2472 1.4922 0.8943 -0.1897 0.0123 -0.0416 216 ASN A O 1626 C CB . ASN A 215 ? 1.2092 1.5413 0.9000 -0.1760 -0.0067 -0.0132 216 ASN A CB 1627 C CG . ASN A 215 ? 1.2597 1.6160 0.9791 -0.1540 -0.0110 0.0035 216 ASN A CG 1628 O OD1 . ASN A 215 ? 1.1975 1.5361 0.9351 -0.1443 -0.0087 0.0046 216 ASN A OD1 1629 N ND2 . ASN A 215 ? 1.2919 1.6867 1.0134 -0.1447 -0.0165 0.0171 216 ASN A ND2 1630 N N . ILE A 216 ? 1.2134 1.5044 0.8388 -0.1962 0.0063 -0.0345 217 ILE A N 1631 C CA . ILE A 216 ? 1.2865 1.5406 0.8807 -0.2106 0.0145 -0.0514 217 ILE A CA 1632 C C . ILE A 216 ? 1.2879 1.5298 0.8644 -0.2353 0.0128 -0.0648 217 ILE A C 1633 O O . ILE A 216 ? 1.2995 1.5762 0.8845 -0.2459 0.0031 -0.0603 217 ILE A O 1634 C CB . ILE A 216 ? 1.3919 1.6636 0.9622 -0.2183 0.0136 -0.0518 217 ILE A CB 1635 C CG1 . ILE A 216 ? 1.4099 1.6843 0.9929 -0.1948 0.0178 -0.0398 217 ILE A CG1 1636 C CG2 . ILE A 216 ? 1.4397 1.6739 0.9720 -0.2368 0.0216 -0.0709 217 ILE A CG2 1637 C CD1 . ILE A 216 ? 1.4092 1.7299 1.0119 -0.1824 0.0085 -0.0204 217 ILE A CD1 1638 N N . GLY A 217 ? 1.2941 1.4860 0.8457 -0.2434 0.0228 -0.0807 218 GLY A N 1639 C CA . GLY A 217 ? 1.3453 1.5174 0.8703 -0.2702 0.0227 -0.0951 218 GLY A CA 1640 C C . GLY A 217 ? 1.2857 1.4004 0.8036 -0.2665 0.0331 -0.1057 218 GLY A C 1641 O O . GLY A 217 ? 1.2013 1.3009 0.7438 -0.2428 0.0380 -0.1000 218 GLY A O 1642 N N . SER A 218 ? 1.2847 1.3675 0.7667 -0.2909 0.0365 -0.1210 219 SER A N 1643 C CA . SER A 218 ? 1.2509 1.2738 0.7179 -0.2884 0.0475 -0.1318 219 SER A CA 1644 C C . SER A 218 ? 1.1944 1.2230 0.6863 -0.2872 0.0428 -0.1263 219 SER A C 1645 O O . SER A 218 ? 1.1738 1.2388 0.6717 -0.3055 0.0324 -0.1228 219 SER A O 1646 C CB . SER A 218 ? 1.3040 1.2856 0.7179 -0.3167 0.0534 -0.1502 219 SER A CB 1647 O OG . SER A 218 ? 1.3202 1.2885 0.7068 -0.3167 0.0598 -0.1570 219 SER A OG 1648 N N . ARG A 219 ? 1.1819 1.1783 0.6892 -0.2647 0.0506 -0.1249 220 ARG A N 1649 C CA . ARG A 219 ? 1.1908 1.1718 0.7101 -0.2641 0.0503 -0.1241 220 ARG A CA 1650 C C . ARG A 219 ? 1.2231 1.1359 0.7089 -0.2639 0.0638 -0.1377 220 ARG A C 1651 O O . ARG A 219 ? 1.2575 1.1402 0.7193 -0.2578 0.0733 -0.1452 220 ARG A O 1652 C CB . ARG A 219 ? 1.1370 1.1369 0.7022 -0.2353 0.0483 -0.1101 220 ARG A CB 1653 C CG . ARG A 219 ? 1.0745 1.1357 0.6730 -0.2310 0.0362 -0.0951 220 ARG A CG 1654 C CD . ARG A 219 ? 1.0733 1.1543 0.6793 -0.2167 0.0366 -0.0885 220 ARG A CD 1655 N NE . ARG A 219 ? 1.0115 1.1423 0.6493 -0.2059 0.0271 -0.0726 220 ARG A NE 1656 C CZ . ARG A 219 ? 1.0026 1.1616 0.6443 -0.1991 0.0244 -0.0648 220 ARG A CZ 1657 N NH1 . ARG A 219 ? 1.0169 1.1626 0.6345 -0.2031 0.0298 -0.0715 220 ARG A NH1 1658 N NH2 . ARG A 219 ? 0.9945 1.1935 0.6623 -0.1876 0.0167 -0.0498 220 ARG A NH2 1659 N N . PRO A 220 ? 1.2925 1.1795 0.7754 -0.2689 0.0653 -0.1404 221 PRO A N 1660 C CA . PRO A 220 ? 1.3354 1.1541 0.7831 -0.2666 0.0790 -0.1524 221 PRO A CA 1661 C C . PRO A 220 ? 1.2940 1.0889 0.7501 -0.2335 0.0898 -0.1507 221 PRO A C 1662 O O . PRO A 220 ? 1.1634 0.9893 0.6602 -0.2108 0.0867 -0.1388 221 PRO A O 1663 C CB . PRO A 220 ? 1.3811 1.1868 0.8363 -0.2713 0.0772 -0.1507 221 PRO A CB 1664 C CG . PRO A 220 ? 1.3693 1.2312 0.8439 -0.2920 0.0629 -0.1440 221 PRO A CG 1665 C CD . PRO A 220 ? 1.3186 1.2349 0.8245 -0.2785 0.0556 -0.1333 221 PRO A CD 1666 N N . LEU A 221 ? 1.3638 1.1032 0.7785 -0.2319 0.1031 -0.1628 222 LEU A N 1667 C CA . LEU A 221 ? 1.3430 1.0609 0.7594 -0.2018 0.1148 -0.1625 222 LEU A CA 1668 C C . LEU A 221 ? 1.2969 1.0055 0.7406 -0.1777 0.1176 -0.1550 222 LEU A C 1669 O O . LEU A 221 ? 1.2731 0.9515 0.7048 -0.1839 0.1191 -0.1579 222 LEU A O 1670 C CB . LEU A 221 ? 1.4569 1.1126 0.8174 -0.2059 0.1293 -0.1777 222 LEU A CB 1671 C CG . LEU A 221 ? 1.5230 1.1737 0.8741 -0.1874 0.1390 -0.1801 222 LEU A CG 1672 C CD1 . LEU A 221 ? 1.5161 1.2082 0.8672 -0.2048 0.1308 -0.1799 222 LEU A CD1 1673 C CD2 . LEU A 221 ? 1.5973 1.1758 0.8924 -0.1851 0.1558 -0.1946 222 LEU A CD2 1674 N N . VAL A 222 ? 1.2421 0.9781 0.7217 -0.1516 0.1181 -0.1451 223 VAL A N 1675 C CA . VAL A 222 ? 1.2199 0.9485 0.7240 -0.1267 0.1218 -0.1383 223 VAL A CA 1676 C C . VAL A 222 ? 1.2493 0.9795 0.7605 -0.1003 0.1314 -0.1361 223 VAL A C 1677 O O . VAL A 222 ? 1.1945 0.9621 0.7243 -0.0979 0.1277 -0.1308 223 VAL A O 1678 C CB . VAL A 222 ? 1.1435 0.9176 0.6942 -0.1257 0.1089 -0.1256 223 VAL A CB 1679 C CG1 . VAL A 222 ? 1.1078 0.8825 0.6869 -0.0986 0.1125 -0.1178 223 VAL A CG1 1680 C CG2 . VAL A 222 ? 1.1271 0.8966 0.6696 -0.1494 0.1014 -0.1278 223 VAL A CG2 1681 N N . ARG A 223 ? 1.3432 1.0324 0.8369 -0.0811 0.1441 -0.1401 224 ARG A N 1682 C CA . ARG A 223 ? 1.3718 1.0571 0.8638 -0.0554 0.1561 -0.1398 224 ARG A CA 1683 C C . ARG A 223 ? 1.3452 1.0416 0.8211 -0.0637 0.1581 -0.1445 224 ARG A C 1684 O O . ARG A 223 ? 1.3537 1.0883 0.8552 -0.0535 0.1569 -0.1374 224 ARG A O 1685 C CB . ARG A 223 ? 1.3504 1.0765 0.8913 -0.0333 0.1529 -0.1265 224 ARG A CB 1686 C CG . ARG A 223 ? 1.3261 1.0354 0.8771 -0.0189 0.1546 -0.1228 224 ARG A CG 1687 C CD . ARG A 223 ? 1.2783 1.0342 0.8802 -0.0103 0.1451 -0.1097 224 ARG A CD 1688 N NE . ARG A 223 ? 1.2406 0.9964 0.8537 -0.0232 0.1351 -0.1070 224 ARG A NE 1689 C CZ . ARG A 223 ? 1.1944 0.9881 0.8384 -0.0346 0.1221 -0.0996 224 ARG A CZ 1690 N NH1 . ARG A 223 ? 1.1740 1.0076 0.8413 -0.0352 0.1169 -0.0933 224 ARG A NH1 1691 N NH2 . ARG A 223 ? 1.2213 1.0118 0.8717 -0.0447 0.1149 -0.0979 224 ARG A NH2 1692 N N . GLY A 224 ? 1.4292 1.0912 0.8605 -0.0844 0.1609 -0.1567 225 GLY A N 1693 C CA . GLY A 224 ? 1.3918 1.0588 0.8002 -0.0955 0.1630 -0.1631 225 GLY A CA 1694 C C . GLY A 224 ? 1.3575 1.0826 0.7957 -0.1092 0.1490 -0.1549 225 GLY A C 1695 O O . GLY A 224 ? 1.3548 1.0917 0.7809 -0.1133 0.1508 -0.1575 225 GLY A O 1696 N N . GLN A 225 ? 1.2949 1.0553 0.7697 -0.1154 0.1357 -0.1449 226 GLN A N 1697 C CA . GLN A 225 ? 1.2485 1.0621 0.7493 -0.1263 0.1228 -0.1361 226 GLN A CA 1698 C C . GLN A 225 ? 1.2415 1.0722 0.7430 -0.1523 0.1096 -0.1356 226 GLN A C 1699 O O . GLN A 225 ? 1.3133 1.1384 0.8256 -0.1553 0.1055 -0.1337 226 GLN A O 1700 C CB . GLN A 225 ? 1.1801 1.0319 0.7285 -0.1062 0.1189 -0.1216 226 GLN A CB 1701 C CG . GLN A 225 ? 1.2190 1.0726 0.7710 -0.0851 0.1295 -0.1200 226 GLN A CG 1702 C CD . GLN A 225 ? 1.2622 1.1279 0.7959 -0.0932 0.1310 -0.1228 226 GLN A CD 1703 O OE1 . GLN A 225 ? 1.2298 1.1206 0.7636 -0.1111 0.1208 -0.1204 226 GLN A OE1 1704 N NE2 . GLN A 225 ? 1.2894 1.1397 0.8073 -0.0789 0.1440 -0.1273 226 GLN A NE2 1705 N N . SER A 226 ? 1.2328 1.0871 0.7225 -0.1708 0.1033 -0.1370 227 SER A N 1706 C CA . SER A 226 ? 1.2670 1.1509 0.7606 -0.1947 0.0899 -0.1346 227 SER A CA 1707 C C . SER A 226 ? 1.2156 1.1574 0.7484 -0.1884 0.0787 -0.1193 227 SER A C 1708 O O . SER A 226 ? 1.2085 1.1844 0.7510 -0.2033 0.0671 -0.1142 227 SER A O 1709 C CB . SER A 226 ? 1.3350 1.2078 0.7850 -0.2220 0.0899 -0.1466 227 SER A CB 1710 O OG . SER A 226 ? 1.4459 1.3302 0.8864 -0.2178 0.0930 -0.1471 227 SER A OG 1711 N N . GLY A 227 ? 1.1806 1.1334 0.7338 -0.1665 0.0827 -0.1117 228 GLY A N 1712 C CA . GLY A 227 ? 1.1251 1.1229 0.7155 -0.1565 0.0741 -0.0962 228 GLY A CA 1713 C C . GLY A 227 ? 1.0694 1.0679 0.6914 -0.1435 0.0719 -0.0889 228 GLY A C 1714 O O . GLY A 227 ? 1.0722 1.0389 0.6872 -0.1425 0.0767 -0.0956 228 GLY A O 1715 N N . ARG A 228 ? 1.0344 1.0667 0.6885 -0.1336 0.0650 -0.0752 229 ARG A N 1716 C CA . ARG A 228 ? 1.0074 1.0431 0.6916 -0.1219 0.0622 -0.0677 229 ARG A CA 1717 C C . ARG A 228 ? 0.9944 1.0554 0.7063 -0.1068 0.0599 -0.0542 229 ARG A C 1718 O O . ARG A 228 ? 0.9963 1.0800 0.7066 -0.1080 0.0570 -0.0483 229 ARG A O 1719 C CB . ARG A 228 ? 1.0091 1.0617 0.7000 -0.1344 0.0521 -0.0652 229 ARG A CB 1720 C CG . ARG A 228 ? 1.0009 1.0285 0.6676 -0.1519 0.0532 -0.0770 229 ARG A CG 1721 C CD . ARG A 228 ? 0.9727 0.9624 0.6401 -0.1420 0.0609 -0.0820 229 ARG A CD 1722 N NE . ARG A 228 ? 1.0105 0.9765 0.6529 -0.1610 0.0611 -0.0919 229 ARG A NE 1723 C CZ . ARG A 228 ? 1.0602 0.9910 0.6648 -0.1729 0.0684 -0.1047 229 ARG A CZ 1724 N NH1 . ARG A 228 ? 1.1314 1.0471 0.7189 -0.1661 0.0765 -0.1096 229 ARG A NH1 1725 N NH2 . ARG A 228 ? 1.1403 1.0489 0.7216 -0.1924 0.0681 -0.1128 229 ARG A NH2 1726 N N . ILE A 229 ? 0.9682 1.0245 0.7038 -0.0939 0.0607 -0.0492 230 ILE A N 1727 C CA . ILE A 229 ? 0.9090 0.9844 0.6693 -0.0816 0.0584 -0.0367 230 ILE A CA 1728 C C . ILE A 229 ? 0.9175 1.0038 0.6976 -0.0801 0.0507 -0.0300 230 ILE A C 1729 O O . ILE A 229 ? 0.9318 1.0032 0.7151 -0.0810 0.0509 -0.0347 230 ILE A O 1730 C CB . ILE A 229 ? 0.9107 0.9721 0.6799 -0.0680 0.0674 -0.0369 230 ILE A CB 1731 C CG1 . ILE A 229 ? 0.9942 1.0506 0.7441 -0.0685 0.0752 -0.0420 230 ILE A CG1 1732 C CG2 . ILE A 229 ? 0.8931 0.9698 0.6866 -0.0582 0.0651 -0.0247 230 ILE A CG2 1733 C CD1 . ILE A 229 ? 1.0240 1.0757 0.7826 -0.0553 0.0844 -0.0407 230 ILE A CD1 1734 N N . SER A 230 ? 0.9248 1.0358 0.7163 -0.0767 0.0445 -0.0186 231 SER A N 1735 C CA . SER A 230 ? 0.8761 0.9985 0.6859 -0.0724 0.0380 -0.0110 231 SER A CA 1736 C C . SER A 230 ? 0.8421 0.9621 0.6695 -0.0584 0.0401 -0.0019 231 SER A C 1737 O O . SER A 230 ? 0.8329 0.9590 0.6584 -0.0540 0.0420 0.0044 231 SER A O 1738 C CB . SER A 230 ? 0.8961 1.0487 0.7028 -0.0779 0.0295 -0.0044 231 SER A CB 1739 O OG . SER A 230 ? 0.9469 1.1035 0.7371 -0.0944 0.0269 -0.0133 231 SER A OG 1740 N N . ILE A 231 ? 0.8188 0.9292 0.6613 -0.0529 0.0398 -0.0014 232 ILE A N 1741 C CA . ILE A 231 ? 0.8011 0.9057 0.6583 -0.0425 0.0422 0.0052 232 ILE A CA 1742 C C . ILE A 231 ? 0.7911 0.9053 0.6589 -0.0362 0.0367 0.0153 232 ILE A C 1743 O O . ILE A 231 ? 0.8745 0.9950 0.7470 -0.0373 0.0318 0.0153 232 ILE A O 1744 C CB . ILE A 231 ? 0.8436 0.9303 0.7098 -0.0394 0.0464 -0.0009 232 ILE A CB 1745 C CG1 . ILE A 231 ? 0.8675 0.9419 0.7216 -0.0419 0.0534 -0.0107 232 ILE A CG1 1746 C CG2 . ILE A 231 ? 0.8810 0.9645 0.7612 -0.0314 0.0486 0.0057 232 ILE A CG2 1747 C CD1 . ILE A 231 ? 0.8555 0.9328 0.7062 -0.0388 0.0594 -0.0085 232 ILE A CD1 1748 N N . TYR A 232 ? 0.7796 0.8927 0.6495 -0.0294 0.0386 0.0240 233 TYR A N 1749 C CA . TYR A 232 ? 0.7598 0.8758 0.6348 -0.0210 0.0354 0.0346 233 TYR A CA 1750 C C . TYR A 232 ? 0.7490 0.8471 0.6307 -0.0165 0.0400 0.0377 233 TYR A C 1751 O O . TYR A 232 ? 0.8087 0.8989 0.6916 -0.0200 0.0453 0.0332 233 TYR A O 1752 C CB . TYR A 232 ? 0.7731 0.9040 0.6365 -0.0180 0.0333 0.0437 233 TYR A CB 1753 C CG . TYR A 232 ? 0.7828 0.9366 0.6399 -0.0242 0.0279 0.0410 233 TYR A CG 1754 C CD1 . TYR A 232 ? 0.8156 0.9739 0.6613 -0.0346 0.0292 0.0333 233 TYR A CD1 1755 C CD2 . TYR A 232 ? 0.8023 0.9742 0.6640 -0.0209 0.0216 0.0454 233 TYR A CD2 1756 C CE1 . TYR A 232 ? 0.8141 0.9928 0.6516 -0.0438 0.0240 0.0297 233 TYR A CE1 1757 C CE2 . TYR A 232 ? 0.8044 1.0016 0.6604 -0.0297 0.0162 0.0426 233 TYR A CE2 1758 C CZ . TYR A 232 ? 0.8089 1.0083 0.6522 -0.0423 0.0173 0.0345 233 TYR A CZ 1759 O OH . TYR A 232 ? 0.8449 1.0685 0.6803 -0.0538 0.0119 0.0311 233 TYR A OH 1760 N N . TRP A 233 ? 0.7151 0.8075 0.5999 -0.0091 0.0383 0.0454 234 TRP A N 1761 C CA . TRP A 233 ? 0.7137 0.7875 0.6006 -0.0072 0.0425 0.0487 234 TRP A CA 1762 C C . TRP A 233 ? 0.7733 0.8391 0.6506 0.0016 0.0422 0.0604 234 TRP A C 1763 O O . TRP A 233 ? 0.7321 0.8100 0.6052 0.0090 0.0382 0.0661 234 TRP A O 1764 C CB . TRP A 233 ? 0.7142 0.7794 0.6145 -0.0082 0.0422 0.0427 234 TRP A CB 1765 C CG . TRP A 233 ? 0.7639 0.8289 0.6691 -0.0020 0.0377 0.0449 234 TRP A CG 1766 C CD1 . TRP A 233 ? 0.8032 0.8543 0.7074 0.0042 0.0380 0.0508 234 TRP A CD1 1767 C CD2 . TRP A 233 ? 0.7647 0.8435 0.6750 -0.0022 0.0329 0.0409 234 TRP A CD2 1768 N NE1 . TRP A 233 ? 0.8330 0.8904 0.7426 0.0097 0.0338 0.0510 234 TRP A NE1 1769 C CE2 . TRP A 233 ? 0.7511 0.8271 0.6653 0.0050 0.0304 0.0452 234 TRP A CE2 1770 C CE3 . TRP A 233 ? 0.7797 0.8716 0.6892 -0.0090 0.0309 0.0341 234 TRP A CE3 1771 C CZ2 . TRP A 233 ? 0.7755 0.8653 0.6950 0.0057 0.0260 0.0436 234 TRP A CZ2 1772 C CZ3 . TRP A 233 ? 0.8133 0.9162 0.7264 -0.0102 0.0263 0.0321 234 TRP A CZ3 1773 C CH2 . TRP A 233 ? 0.8230 0.9270 0.7423 -0.0028 0.0238 0.0371 234 TRP A CH2 1774 N N . THR A 234 ? 0.8130 0.8586 0.6853 0.0007 0.0471 0.0643 235 THR A N 1775 C CA . THR A 234 ? 0.8067 0.8357 0.6641 0.0086 0.0490 0.0754 235 THR A CA 1776 C C . THR A 234 ? 0.8379 0.8420 0.6950 0.0041 0.0530 0.0747 235 THR A C 1777 O O . THR A 234 ? 0.8869 0.8899 0.7495 -0.0069 0.0562 0.0693 235 THR A O 1778 C CB . THR A 234 ? 0.8377 0.8669 0.6799 0.0073 0.0525 0.0817 235 THR A CB 1779 O OG1 . THR A 234 ? 0.8459 0.9015 0.6892 0.0077 0.0486 0.0799 235 THR A OG1 1780 C CG2 . THR A 234 ? 0.8481 0.8567 0.6701 0.0176 0.0551 0.0947 235 THR A CG2 1781 N N . ILE A 235 ? 0.8796 0.8656 0.7301 0.0123 0.0530 0.0797 236 ILE A N 1782 C CA . ILE A 235 ? 0.9271 0.8856 0.7724 0.0066 0.0570 0.0793 236 ILE A CA 1783 C C . ILE A 235 ? 0.9543 0.8845 0.7738 0.0088 0.0627 0.0895 236 ILE A C 1784 O O . ILE A 235 ? 0.9380 0.8627 0.7434 0.0230 0.0627 0.0985 236 ILE A O 1785 C CB . ILE A 235 ? 0.9487 0.8979 0.7981 0.0136 0.0545 0.0778 236 ILE A CB 1786 C CG1 . ILE A 235 ? 0.9580 0.9345 0.8295 0.0143 0.0485 0.0698 236 ILE A CG1 1787 C CG2 . ILE A 235 ? 0.9649 0.8874 0.8087 0.0038 0.0584 0.0754 236 ILE A CG2 1788 C CD1 . ILE A 235 ? 0.9179 0.8969 0.8050 0.0038 0.0479 0.0601 236 ILE A CD1 1789 N N . VAL A 236 ? 0.9340 0.8468 0.7461 -0.0051 0.0679 0.0886 237 VAL A N 1790 C CA . VAL A 236 ? 0.9335 0.8156 0.7181 -0.0065 0.0745 0.0979 237 VAL A CA 1791 C C . VAL A 236 ? 0.9952 0.8418 0.7661 -0.0145 0.0787 0.0974 237 VAL A C 1792 O O . VAL A 236 ? 1.0108 0.8613 0.7921 -0.0308 0.0792 0.0900 237 VAL A O 1793 C CB . VAL A 236 ? 0.9128 0.8051 0.6963 -0.0199 0.0780 0.0977 237 VAL A CB 1794 C CG1 . VAL A 236 ? 1.0127 0.8697 0.7654 -0.0238 0.0855 0.1074 237 VAL A CG1 1795 C CG2 . VAL A 236 ? 0.9266 0.8513 0.7199 -0.0129 0.0743 0.0976 237 VAL A CG2 1796 N N . LYS A 237 ? 1.0904 0.9024 0.8362 -0.0027 0.0819 0.1054 238 LYS A N 1797 C CA . LYS A 237 ? 1.1389 0.9114 0.8669 -0.0097 0.0863 0.1044 238 LYS A CA 1798 C C . LYS A 237 ? 1.1182 0.8598 0.8213 -0.0284 0.0941 0.1076 238 LYS A C 1799 O O . LYS A 237 ? 1.1541 0.8970 0.8475 -0.0304 0.0972 0.1137 238 LYS A O 1800 C CB . LYS A 237 ? 1.2352 0.9792 0.9425 0.0120 0.0881 0.1118 238 LYS A CB 1801 C CG . LYS A 237 ? 1.2963 1.0698 1.0267 0.0279 0.0810 0.1085 238 LYS A CG 1802 C CD . LYS A 237 ? 1.4617 1.2104 1.1705 0.0518 0.0838 0.1173 238 LYS A CD 1803 C CE . LYS A 237 ? 1.4778 1.2569 1.2090 0.0663 0.0773 0.1142 238 LYS A CE 1804 N NZ . LYS A 237 ? 1.4691 1.2462 1.2139 0.0558 0.0751 0.1035 238 LYS A NZ 1805 N N . PRO A 238 ? 1.0712 0.7847 0.7624 -0.0437 0.0974 0.1034 239 PRO A N 1806 C CA . PRO A 238 ? 1.1140 0.7928 0.7765 -0.0639 0.1054 0.1065 239 PRO A CA 1807 C C . PRO A 238 ? 1.1804 0.8197 0.8060 -0.0522 0.1125 0.1193 239 PRO A C 1808 O O . PRO A 238 ? 1.1965 0.8190 0.8094 -0.0280 0.1128 0.1258 239 PRO A O 1809 C CB . PRO A 238 ? 1.1563 0.8026 0.8048 -0.0751 0.1074 0.1011 239 PRO A CB 1810 C CG . PRO A 238 ? 1.1372 0.8217 0.8216 -0.0696 0.0988 0.0918 239 PRO A CG 1811 C CD . PRO A 238 ? 1.0591 0.7752 0.7638 -0.0455 0.0934 0.0948 239 PRO A CD 1812 N N . GLY A 239 ? 1.2418 0.8687 0.8499 -0.0683 0.1185 0.1237 240 GLY A N 1813 C CA . GLY A 239 ? 1.3242 0.9129 0.8954 -0.0570 0.1256 0.1369 240 GLY A CA 1814 C C . GLY A 239 ? 1.3293 0.9509 0.9132 -0.0349 0.1217 0.1439 240 GLY A C 1815 O O . GLY A 239 ? 1.3239 0.9271 0.8829 -0.0299 0.1270 0.1546 240 GLY A O 1816 N N . ASP A 240 ? 1.2819 0.9515 0.9024 -0.0232 0.1125 0.1378 241 ASP A N 1817 C CA . ASP A 240 ? 1.2586 0.9632 0.8921 -0.0041 0.1077 0.1430 241 ASP A CA 1818 C C . ASP A 240 ? 1.1954 0.9370 0.8474 -0.0196 0.1063 0.1392 241 ASP A C 1819 O O . ASP A 240 ? 1.1759 0.9191 0.8327 -0.0426 0.1090 0.1332 241 ASP A O 1820 C CB . ASP A 240 ? 1.2400 0.9765 0.9007 0.0132 0.0991 0.1381 241 ASP A CB 1821 C CG . ASP A 240 ? 1.2850 1.0331 0.9392 0.0408 0.0967 0.1487 241 ASP A CG 1822 O OD1 . ASP A 240 ? 1.3594 1.1163 1.0045 0.0447 0.0978 0.1565 241 ASP A OD1 1823 O OD2 . ASP A 240 ? 1.2442 0.9960 0.9027 0.0589 0.0936 0.1498 241 ASP A OD2 1824 N N . ILE A 241 ? 1.1706 0.9436 0.8319 -0.0066 0.1023 0.1429 242 ILE A N 1825 C CA . ILE A 241 ? 1.1869 0.9873 0.8560 -0.0170 0.1027 0.1422 242 ILE A CA 1826 C C . ILE A 241 ? 1.1106 0.9599 0.8082 -0.0076 0.0943 0.1366 242 ILE A C 1827 O O . ILE A 241 ? 1.1397 0.9981 0.8364 0.0114 0.0899 0.1416 242 ILE A O 1828 C CB . ILE A 241 ? 1.2708 1.0493 0.9076 -0.0100 0.1084 0.1563 242 ILE A CB 1829 C CG1 . ILE A 241 ? 1.4044 1.1255 1.0046 -0.0187 0.1181 0.1634 242 ILE A CG1 1830 C CG2 . ILE A 241 ? 1.2731 1.0827 0.9181 -0.0201 0.1088 0.1552 242 ILE A CG2 1831 C CD1 . ILE A 241 ? 1.4685 1.1579 1.0307 -0.0061 0.1243 0.1793 242 ILE A CD1 1832 N N . LEU A 242 ? 1.0422 0.9228 0.7627 -0.0212 0.0926 0.1268 243 LEU A N 1833 C CA . LEU A 242 ? 1.0154 0.9367 0.7560 -0.0151 0.0862 0.1215 243 LEU A CA 1834 C C . LEU A 242 ? 1.0661 0.9956 0.7922 -0.0136 0.0885 0.1287 243 LEU A C 1835 O O . LEU A 242 ? 1.1018 1.0205 0.8160 -0.0259 0.0952 0.1314 243 LEU A O 1836 C CB . LEU A 242 ? 0.9929 0.9397 0.7596 -0.0283 0.0850 0.1083 243 LEU A CB 1837 C CG . LEU A 242 ? 0.9735 0.9559 0.7585 -0.0231 0.0790 0.1010 243 LEU A CG 1838 C CD1 . LEU A 242 ? 0.9980 0.9851 0.7925 -0.0107 0.0720 0.0993 243 LEU A CD1 1839 C CD2 . LEU A 242 ? 0.9424 0.9446 0.7470 -0.0349 0.0803 0.0894 243 LEU A CD2 1840 N N . MET A 243 ? 1.0926 1.0436 0.8194 0.0000 0.0831 0.1320 244 MET A N 1841 C CA . MET A 243 ? 1.1035 1.0693 0.8186 0.0007 0.0841 0.1374 244 MET A CA 1842 C C . MET A 243 ? 1.0715 1.0775 0.8044 0.0023 0.0770 0.1292 244 MET A C 1843 O O . MET A 243 ? 1.1060 1.1261 0.8500 0.0112 0.0703 0.1267 244 MET A O 1844 C CB . MET A 243 ? 1.1074 1.0554 0.7952 0.0165 0.0854 0.1534 244 MET A CB 1845 C CG . MET A 243 ? 1.1277 1.0887 0.8010 0.0163 0.0870 0.1600 244 MET A CG 1846 S SD . MET A 243 ? 1.2291 1.1698 0.8681 0.0377 0.0888 0.1806 244 MET A SD 1847 C CE . MET A 243 ? 1.2651 1.1444 0.8776 0.0320 0.0999 0.1879 244 MET A CE 1848 N N . ILE A 244 ? 1.0259 1.0493 0.7596 -0.0072 0.0790 0.1247 245 ILE A N 1849 C CA . ILE A 244 ? 0.9853 1.0419 0.7309 -0.0081 0.0734 0.1158 245 ILE A CA 1850 C C . ILE A 244 ? 0.9908 1.0612 0.7189 -0.0066 0.0737 0.1222 245 ILE A C 1851 O O . ILE A 244 ? 1.0255 1.0864 0.7404 -0.0124 0.0804 0.1267 245 ILE A O 1852 C CB . ILE A 244 ? 0.9416 1.0076 0.7053 -0.0205 0.0757 0.1012 245 ILE A CB 1853 C CG1 . ILE A 244 ? 0.9404 0.9964 0.7217 -0.0211 0.0743 0.0951 245 ILE A CG1 1854 C CG2 . ILE A 244 ? 0.9262 1.0191 0.6954 -0.0222 0.0714 0.0918 245 ILE A CG2 1855 C CD1 . ILE A 244 ? 0.9302 0.9843 0.7234 -0.0325 0.0799 0.0869 245 ILE A CD1 1856 N N . ASN A 245 ? 0.9733 1.0682 0.7013 0.0003 0.0664 0.1227 246 ASN A N 1857 C CA . ASN A 245 ? 1.0247 1.1365 0.7356 0.0037 0.0648 0.1301 246 ASN A CA 1858 C C . ASN A 245 ? 1.0176 1.1612 0.7369 -0.0029 0.0588 0.1182 246 ASN A C 1859 O O . ASN A 245 ? 0.9782 1.1368 0.7089 -0.0005 0.0518 0.1138 246 ASN A O 1860 C CB . ASN A 245 ? 1.0612 1.1707 0.7588 0.0214 0.0614 0.1460 246 ASN A CB 1861 C CG . ASN A 245 ? 1.1391 1.2638 0.8157 0.0269 0.0605 0.1568 246 ASN A CG 1862 O OD1 . ASN A 245 ? 1.0990 1.2574 0.7768 0.0253 0.0541 0.1535 246 ASN A OD1 1863 N ND2 . ASN A 245 ? 1.2357 1.3348 0.8909 0.0326 0.0670 0.1700 246 ASN A ND2 1864 N N . SER A 246 ? 1.0427 1.1948 0.7550 -0.0128 0.0621 0.1123 247 SER A N 1865 C CA . SER A 246 ? 1.0315 1.2069 0.7474 -0.0209 0.0577 0.0996 247 SER A CA 1866 C C . SER A 246 ? 1.0409 1.2302 0.7391 -0.0271 0.0595 0.0988 247 SER A C 1867 O O . SER A 246 ? 1.0529 1.2318 0.7412 -0.0293 0.0669 0.1025 247 SER A O 1868 C CB . SER A 246 ? 1.0080 1.1747 0.7405 -0.0293 0.0606 0.0841 247 SER A CB 1869 O OG . SER A 246 ? 0.9868 1.1671 0.7150 -0.0386 0.0598 0.0715 247 SER A OG 1870 N N . ASN A 247 ? 1.0995 1.3129 0.7940 -0.0316 0.0527 0.0927 248 ASN A N 1871 C CA . ASN A 247 ? 1.0945 1.3281 0.7702 -0.0373 0.0510 0.0922 248 ASN A CA 1872 C C . ASN A 247 ? 1.0855 1.3184 0.7583 -0.0510 0.0545 0.0744 248 ASN A C 1873 O O . ASN A 247 ? 1.0609 1.3047 0.7160 -0.0579 0.0556 0.0711 248 ASN A O 1874 C CB . ASN A 247 ? 1.1253 1.3888 0.7991 -0.0348 0.0400 0.0963 248 ASN A CB 1875 C CG . ASN A 247 ? 1.1865 1.4731 0.8402 -0.0326 0.0368 0.1063 248 ASN A CG 1876 O OD1 . ASN A 247 ? 1.3438 1.6332 0.9826 -0.0415 0.0402 0.1011 248 ASN A OD1 1877 N ND2 . ASN A 247 ? 1.2431 1.5474 0.8952 -0.0193 0.0304 0.1214 248 ASN A ND2 1878 N N . GLY A 248 ? 1.1005 1.3189 0.7891 -0.0539 0.0566 0.0633 249 GLY A N 1879 C CA . GLY A 248 ? 1.0873 1.3012 0.7729 -0.0645 0.0592 0.0460 249 GLY A CA 1880 C C . GLY A 248 ? 1.0725 1.2774 0.7762 -0.0645 0.0563 0.0389 249 GLY A C 1881 O O . GLY A 248 ? 1.0637 1.2752 0.7789 -0.0587 0.0496 0.0464 249 GLY A O 1882 N N . ASN A 249 ? 1.0768 1.2659 0.7815 -0.0696 0.0621 0.0248 250 ASN A N 1883 C CA . ASN A 249 ? 1.0927 1.2725 0.8082 -0.0722 0.0596 0.0154 250 ASN A CA 1884 C C . ASN A 249 ? 0.9924 1.1587 0.7315 -0.0632 0.0612 0.0191 250 ASN A C 1885 O O . ASN A 249 ? 0.9118 1.0696 0.6605 -0.0642 0.0596 0.0123 250 ASN A O 1886 C CB . ASN A 249 ? 1.1005 1.2993 0.8117 -0.0793 0.0489 0.0152 250 ASN A CB 1887 C CG . ASN A 249 ? 1.1221 1.3329 0.8081 -0.0924 0.0472 0.0080 250 ASN A CG 1888 O OD1 . ASN A 249 ? 1.1844 1.3911 0.8603 -0.1045 0.0456 -0.0040 250 ASN A OD1 1889 N ND2 . ASN A 249 ? 1.1422 1.3659 0.8159 -0.0910 0.0479 0.0152 250 ASN A ND2 1890 N N . LEU A 250 ? 0.9659 1.1289 0.7117 -0.0559 0.0650 0.0293 251 LEU A N 1891 C CA . LEU A 250 ? 0.9054 1.0561 0.6704 -0.0494 0.0667 0.0333 251 LEU A CA 1892 C C . LEU A 250 ? 0.8964 1.0340 0.6700 -0.0498 0.0739 0.0228 251 LEU A C 1893 O O . LEU A 250 ? 0.9795 1.1157 0.7456 -0.0513 0.0816 0.0180 251 LEU A O 1894 C CB . LEU A 250 ? 0.9305 1.0786 0.6947 -0.0447 0.0699 0.0464 251 LEU A CB 1895 C CG . LEU A 250 ? 0.9428 1.0762 0.7229 -0.0414 0.0739 0.0493 251 LEU A CG 1896 C CD1 . LEU A 250 ? 0.9918 1.1207 0.7851 -0.0369 0.0672 0.0506 251 LEU A CD1 1897 C CD2 . LEU A 250 ? 0.9442 1.0714 0.7175 -0.0401 0.0779 0.0618 251 LEU A CD2 1898 N N . VAL A 251 ? 0.9101 1.0397 0.6992 -0.0472 0.0716 0.0198 252 VAL A N 1899 C CA . VAL A 251 ? 0.8741 0.9931 0.6745 -0.0446 0.0779 0.0129 252 VAL A CA 1900 C C . VAL A 251 ? 0.8758 0.9917 0.6926 -0.0406 0.0775 0.0216 252 VAL A C 1901 O O . VAL A 251 ? 0.8480 0.9606 0.6741 -0.0384 0.0714 0.0248 252 VAL A O 1902 C CB . VAL A 251 ? 0.8879 0.9984 0.6908 -0.0455 0.0752 0.0028 252 VAL A CB 1903 C CG1 . VAL A 251 ? 0.8768 0.9771 0.6884 -0.0405 0.0823 -0.0038 252 VAL A CG1 1904 C CG2 . VAL A 251 ? 0.9580 1.0694 0.7401 -0.0530 0.0737 -0.0050 252 VAL A CG2 1905 N N . ALA A 252 ? 0.8691 0.9863 0.6879 -0.0408 0.0844 0.0254 253 ALA A N 1906 C CA . ALA A 252 ? 0.8498 0.9631 0.6749 -0.0409 0.0844 0.0359 253 ALA A CA 1907 C C . ALA A 252 ? 0.8165 0.9259 0.6590 -0.0402 0.0865 0.0338 253 ALA A C 1908 O O . ALA A 252 ? 0.8985 1.0123 0.7480 -0.0387 0.0905 0.0257 253 ALA A O 1909 C CB . ALA A 252 ? 0.9116 1.0294 0.7259 -0.0447 0.0909 0.0420 253 ALA A CB 1910 N N . PRO A 253 ? 0.7741 0.8749 0.6216 -0.0410 0.0843 0.0415 254 PRO A N 1911 C CA . PRO A 253 ? 0.7859 0.8846 0.6488 -0.0424 0.0859 0.0399 254 PRO A CA 1912 C C . PRO A 253 ? 0.7642 0.8724 0.6291 -0.0488 0.0939 0.0415 254 PRO A C 1913 O O . PRO A 253 ? 0.8660 0.9750 0.7187 -0.0534 0.0977 0.0474 254 PRO A O 1914 C CB . PRO A 253 ? 0.8260 0.9090 0.6877 -0.0422 0.0813 0.0480 254 PRO A CB 1915 C CG . PRO A 253 ? 0.8072 0.8850 0.6505 -0.0423 0.0817 0.0571 254 PRO A CG 1916 C CD . PRO A 253 ? 0.7942 0.8856 0.6303 -0.0406 0.0816 0.0527 254 PRO A CD 1917 N N . ARG A 254 ? 0.7536 0.8709 0.6335 -0.0491 0.0964 0.0369 255 ARG A N 1918 C CA . ARG A 254 ? 0.7380 0.8705 0.6231 -0.0562 0.1036 0.0389 255 ARG A CA 1919 C C . ARG A 254 ? 0.7507 0.8773 0.6418 -0.0652 0.1024 0.0441 255 ARG A C 1920 O O . ARG A 254 ? 0.7259 0.8667 0.6212 -0.0747 0.1077 0.0465 255 ARG A O 1921 C CB . ARG A 254 ? 0.7483 0.9001 0.6457 -0.0497 0.1079 0.0309 255 ARG A CB 1922 C CG . ARG A 254 ? 0.8123 0.9681 0.6998 -0.0423 0.1117 0.0249 255 ARG A CG 1923 C CD . ARG A 254 ? 0.8419 1.0152 0.7392 -0.0338 0.1180 0.0183 255 ARG A CD 1924 N NE . ARG A 254 ? 0.8661 1.0344 0.7505 -0.0251 0.1215 0.0107 255 ARG A NE 1925 C CZ . ARG A 254 ? 0.9632 1.1399 0.8356 -0.0250 0.1287 0.0100 255 ARG A CZ 1926 N NH1 . ARG A 254 ? 0.9336 1.1264 0.8072 -0.0333 0.1330 0.0170 255 ARG A NH1 1927 N NH2 . ARG A 254 ? 0.9975 1.1653 0.8550 -0.0177 0.1319 0.0020 255 ARG A NH2 1928 N N . GLY A 255 ? 0.8020 0.9091 0.6930 -0.0631 0.0956 0.0456 256 GLY A N 1929 C CA . GLY A 255 ? 0.8149 0.9126 0.7095 -0.0713 0.0943 0.0489 256 GLY A CA 1930 C C . GLY A 255 ? 0.8164 0.8970 0.7144 -0.0648 0.0871 0.0476 256 GLY A C 1931 O O . GLY A 255 ? 0.8660 0.9395 0.7606 -0.0552 0.0828 0.0465 256 GLY A O 1932 N N . TYR A 256 ? 0.8430 0.9191 0.7473 -0.0710 0.0858 0.0477 257 TYR A N 1933 C CA . TYR A 256 ? 0.8177 0.8757 0.7232 -0.0655 0.0797 0.0471 257 TYR A CA 1934 C C . TYR A 256 ? 0.7782 0.8478 0.7014 -0.0649 0.0771 0.0411 257 TYR A C 1935 O O . TYR A 256 ? 0.7923 0.8819 0.7254 -0.0717 0.0801 0.0393 257 TYR A O 1936 C CB . TYR A 256 ? 0.8734 0.9030 0.7615 -0.0724 0.0803 0.0544 257 TYR A CB 1937 C CG . TYR A 256 ? 0.8735 0.9021 0.7594 -0.0892 0.0842 0.0559 257 TYR A CG 1938 C CD1 . TYR A 256 ? 0.8747 0.9025 0.7690 -0.0942 0.0815 0.0524 257 TYR A CD1 1939 C CD2 . TYR A 256 ? 0.8742 0.9028 0.7479 -0.1018 0.0905 0.0609 257 TYR A CD2 1940 C CE1 . TYR A 256 ? 0.8839 0.9129 0.7749 -0.1123 0.0846 0.0534 257 TYR A CE1 1941 C CE2 . TYR A 256 ? 0.9139 0.9430 0.7842 -0.1204 0.0941 0.0620 257 TYR A CE2 1942 C CZ . TYR A 256 ? 0.9125 0.9425 0.7915 -0.1261 0.0908 0.0580 257 TYR A CZ 1943 O OH . TYR A 256 ? 0.9983 1.0311 0.8733 -0.1469 0.0937 0.0586 257 TYR A OH 1944 N N . PHE A 257 ? 0.7848 0.8444 0.7118 -0.0560 0.0715 0.0386 258 PHE A N 1945 C CA . PHE A 257 ? 0.7904 0.8526 0.7297 -0.0559 0.0682 0.0348 258 PHE A CA 1946 C C . PHE A 257 ? 0.8050 0.8432 0.7341 -0.0622 0.0665 0.0388 258 PHE A C 1947 O O . PHE A 257 ? 0.7608 0.7763 0.6749 -0.0591 0.0659 0.0436 258 PHE A O 1948 C CB . PHE A 257 ? 0.7789 0.8422 0.7263 -0.0436 0.0636 0.0298 258 PHE A CB 1949 C CG . PHE A 257 ? 0.7972 0.8763 0.7494 -0.0371 0.0658 0.0250 258 PHE A CG 1950 C CD1 . PHE A 257 ? 0.7780 0.8537 0.7203 -0.0333 0.0662 0.0252 258 PHE A CD1 1951 C CD2 . PHE A 257 ? 0.7988 0.8956 0.7633 -0.0340 0.0678 0.0204 258 PHE A CD2 1952 C CE1 . PHE A 257 ? 0.7619 0.8477 0.7045 -0.0283 0.0689 0.0199 258 PHE A CE1 1953 C CE2 . PHE A 257 ? 0.8122 0.9182 0.7768 -0.0264 0.0712 0.0159 258 PHE A CE2 1954 C CZ . PHE A 257 ? 0.7733 0.8718 0.7261 -0.0243 0.0719 0.0151 258 PHE A CZ 1955 N N . LYS A 258 ? 0.8926 0.9362 0.8287 -0.0704 0.0660 0.0368 259 LYS A N 1956 C CA . LYS A 258 ? 0.9295 0.9494 0.8546 -0.0781 0.0649 0.0389 259 LYS A CA 1957 C C . LYS A 258 ? 0.9427 0.9556 0.8745 -0.0673 0.0593 0.0356 259 LYS A C 1958 O O . LYS A 258 ? 1.0817 1.1144 1.0303 -0.0629 0.0566 0.0307 259 LYS A O 1959 C CB . LYS A 258 ? 0.9889 1.0231 0.9180 -0.0950 0.0669 0.0378 259 LYS A CB 1960 C CG . LYS A 258 ? 1.1385 1.1445 1.0501 -0.1084 0.0673 0.0397 259 LYS A CG 1961 C CD . LYS A 258 ? 1.2013 1.2238 1.1127 -0.1303 0.0703 0.0395 259 LYS A CD 1962 C CE . LYS A 258 ? 1.2644 1.2699 1.1667 -0.1428 0.0682 0.0374 259 LYS A CE 1963 N NZ . LYS A 258 ? 1.3191 1.3339 1.2139 -0.1688 0.0715 0.0381 259 LYS A NZ 1964 N N . LEU A 259 ? 0.9686 0.9538 0.8862 -0.0617 0.0580 0.0388 260 LEU A N 1965 C CA . LEU A 259 ? 0.9411 0.9173 0.8620 -0.0531 0.0535 0.0366 260 LEU A CA 1966 C C . LEU A 259 ? 1.0546 1.0192 0.9711 -0.0636 0.0532 0.0349 260 LEU A C 1967 O O . LEU A 259 ? 1.1746 1.1132 1.0712 -0.0721 0.0564 0.0381 260 LEU A O 1968 C CB . LEU A 259 ? 0.9341 0.8881 0.8405 -0.0416 0.0531 0.0416 260 LEU A CB 1969 C CG . LEU A 259 ? 0.9257 0.8924 0.8390 -0.0281 0.0501 0.0418 260 LEU A CG 1970 C CD1 . LEU A 259 ? 0.9717 0.9656 0.9014 -0.0286 0.0492 0.0366 260 LEU A CD1 1971 C CD2 . LEU A 259 ? 0.9307 0.8859 0.8275 -0.0220 0.0523 0.0492 260 LEU A CD2 1972 N N . ASN A 260 ? 1.1023 1.0843 1.0349 -0.0633 0.0496 0.0298 261 ASN A N 1973 C CA . ASN A 260 ? 1.1513 1.1247 1.0804 -0.0721 0.0481 0.0275 261 ASN A CA 1974 C C . ASN A 260 ? 1.1505 1.1094 1.0784 -0.0590 0.0447 0.0267 261 ASN A C 1975 O O . ASN A 260 ? 1.0728 1.0390 1.0085 -0.0458 0.0429 0.0269 261 ASN A O 1976 C CB . ASN A 260 ? 1.1251 1.1312 1.0729 -0.0788 0.0460 0.0235 261 ASN A CB 1977 C CG . ASN A 260 ? 1.1668 1.1994 1.1230 -0.0843 0.0494 0.0244 261 ASN A CG 1978 O OD1 . ASN A 260 ? 1.0923 1.1318 1.0436 -0.1005 0.0523 0.0257 261 ASN A OD1 1979 N ND2 . ASN A 260 ? 1.1692 1.2160 1.1359 -0.0714 0.0497 0.0239 261 ASN A ND2 1980 N N . THR A 261 ? 1.2793 1.2166 1.1949 -0.0636 0.0444 0.0259 262 THR A N 1981 C CA . THR A 261 ? 1.3016 1.2282 1.2168 -0.0519 0.0415 0.0248 262 THR A CA 1982 C C . THR A 261 ? 1.1792 1.1275 1.1111 -0.0554 0.0372 0.0196 262 THR A C 1983 O O . THR A 261 ? 1.0640 1.0139 0.9931 -0.0690 0.0369 0.0173 262 THR A O 1984 C CB . THR A 261 ? 1.3792 1.2668 1.2682 -0.0528 0.0446 0.0270 262 THR A CB 1985 O OG1 . THR A 261 ? 1.3902 1.2596 1.2637 -0.0463 0.0488 0.0331 262 THR A OG1 1986 C CG2 . THR A 261 ? 1.4263 1.3055 1.3152 -0.0408 0.0421 0.0255 262 THR A CG2 1987 N N . GLY A 262 ? 1.1474 1.1136 1.0958 -0.0439 0.0340 0.0180 263 GLY A N 1988 C CA . GLY A 262 ? 1.1646 1.1564 1.1301 -0.0453 0.0309 0.0145 263 GLY A CA 1989 C C . GLY A 262 ? 1.0334 1.0251 1.0047 -0.0367 0.0272 0.0123 263 GLY A C 1990 O O . GLY A 262 ? 0.9963 0.9762 0.9639 -0.0271 0.0267 0.0133 263 GLY A O 1991 N N . LYS A 263 ? 0.9691 0.9775 0.9499 -0.0403 0.0245 0.0098 264 LYS A N 1992 C CA . LYS A 263 ? 1.0305 1.0453 1.0199 -0.0312 0.0212 0.0081 264 LYS A CA 1993 C C . LYS A 263 ? 0.8866 0.9169 0.8881 -0.0211 0.0215 0.0079 264 LYS A C 1994 O O . LYS A 263 ? 0.8521 0.8902 0.8607 -0.0146 0.0195 0.0067 264 LYS A O 1995 C CB . LYS A 263 ? 1.1998 1.2272 1.1930 -0.0381 0.0182 0.0063 264 LYS A CB 1996 C CG . LYS A 263 ? 1.2264 1.2854 1.2323 -0.0421 0.0180 0.0065 264 LYS A CG 1997 C CD . LYS A 263 ? 1.1764 1.2537 1.1921 -0.0366 0.0142 0.0058 264 LYS A CD 1998 C CE . LYS A 263 ? 1.2461 1.3561 1.2703 -0.0448 0.0129 0.0065 264 LYS A CE 1999 N NZ . LYS A 263 ? 1.2378 1.3461 1.2535 -0.0602 0.0098 0.0048 264 LYS A NZ 2000 N N . SER A 264 ? 0.7414 0.7734 0.7426 -0.0198 0.0245 0.0090 265 SER A N 2001 C CA . SER A 264 ? 0.6582 0.7041 0.6676 -0.0126 0.0259 0.0079 265 SER A CA 2002 C C . SER A 264 ? 0.6135 0.6490 0.6201 -0.0048 0.0257 0.0072 265 SER A C 2003 O O . SER A 264 ? 0.6268 0.6498 0.6267 -0.0047 0.0249 0.0084 265 SER A O 2004 C CB . SER A 264 ? 0.6891 0.7467 0.6997 -0.0165 0.0297 0.0088 265 SER A CB 2005 O OG . SER A 264 ? 0.6817 0.7565 0.6973 -0.0245 0.0298 0.0094 265 SER A OG 2006 N N . SER A 265 ? 0.6190 0.6599 0.6292 0.0018 0.0267 0.0053 266 SER A N 2007 C CA . SER A 265 ? 0.6291 0.6599 0.6343 0.0058 0.0266 0.0039 266 SER A CA 2008 C C . SER A 265 ? 0.6043 0.6369 0.6083 0.0113 0.0300 0.0014 266 SER A C 2009 O O . SER A 265 ? 0.5919 0.6358 0.5999 0.0140 0.0327 0.0014 266 SER A O 2010 C CB . SER A 265 ? 0.6560 0.6791 0.6608 0.0078 0.0234 0.0038 266 SER A CB 2011 O OG . SER A 265 ? 0.6711 0.6868 0.6704 0.0084 0.0231 0.0031 266 SER A OG 2012 N N . VAL A 266 ? 0.5776 0.5990 0.5744 0.0126 0.0301 -0.0005 267 VAL A N 2013 C CA . VAL A 266 ? 0.5946 0.6089 0.5838 0.0168 0.0340 -0.0037 267 VAL A CA 2014 C C . VAL A 266 ? 0.6725 0.6726 0.6547 0.0170 0.0329 -0.0052 267 VAL A C 2015 O O . VAL A 266 ? 0.7210 0.7198 0.7034 0.0119 0.0292 -0.0041 267 VAL A O 2016 C CB . VAL A 266 ? 0.5768 0.5894 0.5581 0.0126 0.0364 -0.0054 267 VAL A CB 2017 C CG1 . VAL A 266 ? 0.5113 0.5221 0.4891 0.0057 0.0329 -0.0045 267 VAL A CG1 2018 C CG2 . VAL A 266 ? 0.6274 0.6276 0.5965 0.0164 0.0413 -0.0097 267 VAL A CG2 2019 N N . MET A 267 ? 0.7041 0.6931 0.6784 0.0235 0.0366 -0.0073 268 MET A N 2020 C CA . MET A 267 ? 0.7245 0.6960 0.6888 0.0236 0.0367 -0.0085 268 MET A CA 2021 C C . MET A 267 ? 0.7414 0.6926 0.6881 0.0272 0.0429 -0.0122 268 MET A C 2022 O O . MET A 267 ? 0.7765 0.7287 0.7218 0.0369 0.0475 -0.0124 268 MET A O 2023 C CB . MET A 267 ? 0.7394 0.7137 0.7105 0.0306 0.0348 -0.0055 268 MET A CB 2024 C CG . MET A 267 ? 0.7802 0.7356 0.7403 0.0302 0.0350 -0.0059 268 MET A CG 2025 S SD . MET A 267 ? 0.7384 0.6989 0.7059 0.0379 0.0320 -0.0018 268 MET A SD 2026 C CE . MET A 267 ? 0.6830 0.6638 0.6666 0.0305 0.0256 0.0000 268 MET A CE 2027 N N . ARG A 268 ? 0.7855 0.7177 0.7170 0.0194 0.0436 -0.0150 269 ARG A N 2028 C CA . ARG A 268 ? 0.7552 0.6599 0.6636 0.0206 0.0502 -0.0193 269 ARG A CA 2029 C C . ARG A 268 ? 0.7564 0.6411 0.6550 0.0298 0.0531 -0.0179 269 ARG A C 2030 O O . ARG A 268 ? 0.8114 0.6917 0.7099 0.0248 0.0500 -0.0162 269 ARG A O 2031 C CB . ARG A 268 ? 0.7675 0.6615 0.6616 0.0039 0.0493 -0.0233 269 ARG A CB 2032 C CG . ARG A 268 ? 0.7905 0.7063 0.6932 -0.0048 0.0458 -0.0236 269 ARG A CG 2033 C CD . ARG A 268 ? 0.8517 0.7587 0.7368 -0.0210 0.0459 -0.0281 269 ARG A CD 2034 N NE . ARG A 268 ? 0.8740 0.8037 0.7664 -0.0272 0.0427 -0.0276 269 ARG A NE 2035 C CZ . ARG A 268 ? 0.9543 0.9093 0.8616 -0.0314 0.0366 -0.0232 269 ARG A CZ 2036 N NH1 . ARG A 268 ? 1.0312 0.9931 0.9485 -0.0308 0.0329 -0.0195 269 ARG A NH1 2037 N NH2 . ARG A 268 ? 0.9455 0.9185 0.8565 -0.0348 0.0345 -0.0220 269 ARG A NH2 2038 N N . SER A 269 ? 0.8036 0.6766 0.6932 0.0446 0.0595 -0.0179 270 SER A N 2039 C CA . SER A 269 ? 0.8110 0.6622 0.6878 0.0564 0.0634 -0.0155 270 SER A CA 2040 C C . SER A 269 ? 0.7983 0.6263 0.6544 0.0717 0.0730 -0.0170 270 SER A C 2041 O O . SER A 269 ? 0.8277 0.6707 0.6902 0.0796 0.0757 -0.0174 270 SER A O 2042 C CB . SER A 269 ? 0.7821 0.6591 0.6805 0.0671 0.0588 -0.0092 270 SER A CB 2043 O OG . SER A 269 ? 0.8472 0.7057 0.7326 0.0821 0.0631 -0.0058 270 SER A OG 2044 N N . ASP A 270 ? 0.8596 0.6511 0.6904 0.0778 0.0787 -0.0170 271 ASP A N 2045 C CA . ASP A 270 ? 0.9309 0.6961 0.7387 0.0973 0.0892 -0.0172 271 ASP A CA 2046 C C . ASP A 270 ? 0.9388 0.7092 0.7502 0.1210 0.0913 -0.0094 271 ASP A C 2047 O O . ASP A 270 ? 0.9465 0.6982 0.7396 0.1413 0.1004 -0.0081 271 ASP A O 2048 C CB . ASP A 270 ? 1.0040 0.7161 0.7722 0.0885 0.0968 -0.0232 271 ASP A CB 2049 C CG . ASP A 270 ? 1.0895 0.7979 0.8497 0.0707 0.0973 -0.0311 271 ASP A CG 2050 O OD1 . ASP A 270 ? 1.0904 0.8362 0.8755 0.0681 0.0926 -0.0312 271 ASP A OD1 2051 O OD2 . ASP A 270 ? 1.1903 0.8580 0.9177 0.0585 0.1026 -0.0372 271 ASP A OD2 2052 N N . VAL A 271 ? 0.9443 0.7414 0.7783 0.1200 0.0831 -0.0041 272 VAL A N 2053 C CA . VAL A 271 ? 1.0142 0.8165 0.8492 0.1418 0.0847 0.0035 272 VAL A CA 2054 C C . VAL A 271 ? 0.9654 0.8085 0.8210 0.1591 0.0854 0.0075 272 VAL A C 2055 O O . VAL A 271 ? 0.9412 0.8188 0.8205 0.1493 0.0803 0.0058 272 VAL A O 2056 C CB . VAL A 271 ? 1.0284 0.8442 0.8775 0.1353 0.0763 0.0080 272 VAL A CB 2057 C CG1 . VAL A 271 ? 0.9982 0.7829 0.8315 0.1147 0.0749 0.0040 272 VAL A CG1 2058 C CG2 . VAL A 271 ? 1.0177 0.8836 0.9023 0.1276 0.0666 0.0094 272 VAL A CG2 2059 N N . PRO A 272 ? 0.9540 0.7943 0.7999 0.1851 0.0919 0.0133 273 PRO A N 2060 C CA . PRO A 272 ? 0.9565 0.8399 0.8215 0.2015 0.0932 0.0174 273 PRO A CA 2061 C C . PRO A 272 ? 0.9391 0.8778 0.8400 0.1950 0.0824 0.0219 273 PRO A C 2062 O O . PRO A 272 ? 1.0182 0.9596 0.9261 0.1863 0.0751 0.0239 273 PRO A O 2063 C CB . PRO A 272 ? 0.9778 0.8439 0.8212 0.2326 0.1029 0.0239 273 PRO A CB 2064 C CG . PRO A 272 ? 1.0105 0.8384 0.8339 0.2316 0.1025 0.0259 273 PRO A CG 2065 C CD . PRO A 272 ? 1.0136 0.8174 0.8331 0.2008 0.0976 0.0179 273 PRO A CD 2066 N N . ILE A 273 ? 0.9256 0.9066 0.8471 0.1975 0.0817 0.0230 274 ILE A N 2067 C CA . ILE A 273 ? 0.8652 0.8988 0.8172 0.1916 0.0729 0.0272 274 ILE A CA 2068 C C . ILE A 273 ? 0.8772 0.9396 0.8332 0.2168 0.0753 0.0361 274 ILE A C 2069 O O . ILE A 273 ? 0.9667 1.0229 0.9094 0.2392 0.0848 0.0386 274 ILE A O 2070 C CB . ILE A 273 ? 0.8353 0.8993 0.8054 0.1785 0.0713 0.0239 274 ILE A CB 2071 C CG1 . ILE A 273 ? 0.8311 0.8734 0.8007 0.1529 0.0664 0.0169 274 ILE A CG1 2072 C CG2 . ILE A 273 ? 0.8074 0.9280 0.8050 0.1754 0.0646 0.0290 274 ILE A CG2 2073 C CD1 . ILE A 273 ? 0.8514 0.8989 0.8239 0.1434 0.0690 0.0122 274 ILE A CD1 2074 N N . ASP A 274 ? 0.8651 0.9597 0.8382 0.2140 0.0670 0.0411 275 ASP A N 2075 C CA . ASP A 274 ? 0.9148 1.0384 0.8907 0.2384 0.0683 0.0507 275 ASP A CA 2076 C C . ASP A 274 ? 0.8789 1.0599 0.8831 0.2271 0.0580 0.0542 275 ASP A C 2077 O O . ASP A 274 ? 0.8897 1.0778 0.9068 0.2012 0.0505 0.0491 275 ASP A O 2078 C CB . ASP A 274 ? 1.0051 1.0881 0.9576 0.2518 0.0705 0.0543 275 ASP A CB 2079 C CG . ASP A 274 ? 1.1047 1.1930 1.0441 0.2874 0.0788 0.0638 275 ASP A CG 2080 O OD1 . ASP A 274 ? 1.0926 1.2368 1.0512 0.2995 0.0760 0.0713 275 ASP A OD1 2081 O OD2 . ASP A 274 ? 1.1737 1.2102 1.0819 0.3035 0.0883 0.0641 275 ASP A OD2 2082 N N . ILE A 275 ? 0.8981 1.1194 0.9097 0.2470 0.0580 0.0633 276 ILE A N 2083 C CA . ILE A 275 ? 0.8744 1.1573 0.9118 0.2370 0.0491 0.0671 276 ILE A CA 2084 C C . ILE A 275 ? 0.8451 1.1294 0.8837 0.2305 0.0402 0.0698 276 ILE A C 2085 O O . ILE A 275 ? 0.8828 1.1838 0.9182 0.2511 0.0402 0.0783 276 ILE A O 2086 C CB . ILE A 275 ? 0.8720 1.2085 0.9192 0.2616 0.0537 0.0761 276 ILE A CB 2087 C CG1 . ILE A 275 ? 0.8865 1.2328 0.9386 0.2592 0.0604 0.0721 276 ILE A CG1 2088 C CG2 . ILE A 275 ? 0.8219 1.2240 0.8919 0.2542 0.0439 0.0820 276 ILE A CG2 2089 C CD1 . ILE A 275 ? 0.9620 1.3578 1.0215 0.2856 0.0673 0.0804 276 ILE A CD1 2090 N N . CYS A 276 ? 0.7931 1.0596 0.8348 0.2032 0.0332 0.0628 277 CYS A N 2091 C CA . CYS A 276 ? 0.8244 1.0909 0.8669 0.1932 0.0246 0.0638 277 CYS A CA 2092 C C . CYS A 276 ? 0.7614 1.0353 0.8161 0.1612 0.0170 0.0564 277 CYS A C 2093 O O . CYS A 276 ? 0.8389 1.1217 0.9016 0.1493 0.0184 0.0521 277 CYS A O 2094 C CB . CYS A 276 ? 0.8943 1.1037 0.9142 0.1998 0.0275 0.0629 277 CYS A CB 2095 S SG . CYS A 276 ? 1.1752 1.3238 1.1788 0.1894 0.0342 0.0534 277 CYS A SG 2096 N N . VAL A 277 ? 0.7018 0.9697 0.7556 0.1482 0.0098 0.0551 278 VAL A N 2097 C CA . VAL A 277 ? 0.6711 0.9416 0.7322 0.1198 0.0034 0.0483 278 VAL A CA 2098 C C . VAL A 277 ? 0.6442 0.8696 0.6934 0.1093 0.0015 0.0434 278 VAL A C 2099 O O . VAL A 277 ? 0.7096 0.9204 0.7497 0.1181 0.0005 0.0464 278 VAL A O 2100 C CB . VAL A 277 ? 0.6459 0.9652 0.7188 0.1100 -0.0045 0.0512 278 VAL A CB 2101 C CG1 . VAL A 277 ? 0.6225 0.9378 0.6976 0.0804 -0.0099 0.0439 278 VAL A CG1 2102 C CG2 . VAL A 277 ? 0.6324 1.0041 0.7188 0.1193 -0.0029 0.0568 278 VAL A CG2 2103 N N . SER A 278 ? 0.6796 0.8858 0.7288 0.0908 0.0011 0.0364 279 SER A N 2104 C CA . SER A 278 ? 0.6953 0.8627 0.7343 0.0818 0.0001 0.0320 279 SER A CA 2105 C C . SER A 278 ? 0.6546 0.8127 0.6961 0.0623 -0.0006 0.0256 279 SER A C 2106 O O . SER A 278 ? 0.6546 0.8275 0.7031 0.0576 0.0011 0.0246 279 SER A O 2107 C CB . SER A 278 ? 0.7278 0.8586 0.7538 0.0948 0.0063 0.0324 279 SER A CB 2108 O OG . SER A 278 ? 0.8306 0.9293 0.8495 0.0831 0.0063 0.0274 279 SER A OG 2109 N N . GLU A 279 ? 0.6596 0.7930 0.6942 0.0523 -0.0026 0.0220 280 GLU A N 2110 C CA . GLU A 279 ? 0.6584 0.7800 0.6922 0.0361 -0.0030 0.0169 280 GLU A CA 2111 C C . GLU A 279 ? 0.6535 0.7415 0.6792 0.0359 0.0000 0.0142 280 GLU A C 2112 O O . GLU A 279 ? 0.7375 0.8138 0.7604 0.0253 -0.0005 0.0111 280 GLU A O 2113 C CB . GLU A 279 ? 0.7438 0.8714 0.7753 0.0225 -0.0082 0.0149 280 GLU A CB 2114 C CG . GLU A 279 ? 0.9216 1.0843 0.9590 0.0226 -0.0127 0.0182 280 GLU A CG 2115 C CD . GLU A 279 ? 1.0877 1.2568 1.1205 0.0050 -0.0176 0.0149 280 GLU A CD 2116 O OE1 . GLU A 279 ? 1.0593 1.2043 1.0818 0.0011 -0.0187 0.0122 280 GLU A OE1 2117 O OE2 . GLU A 279 ? 1.1129 1.3119 1.1512 -0.0054 -0.0201 0.0151 280 GLU A OE2 2118 N N . CYS A 280 ? 0.6406 0.7130 0.6609 0.0471 0.0032 0.0158 281 CYS A N 2119 C CA . CYS A 280 ? 0.6581 0.7034 0.6707 0.0450 0.0059 0.0134 281 CYS A CA 2120 C C . CYS A 280 ? 0.6875 0.7219 0.6948 0.0548 0.0111 0.0143 281 CYS A C 2121 O O . CYS A 280 ? 0.7107 0.7448 0.7137 0.0665 0.0125 0.0176 281 CYS A O 2122 C CB . CYS A 280 ? 0.7398 0.7704 0.7451 0.0443 0.0042 0.0138 281 CYS A CB 2123 S SG . CYS A 280 ? 0.8783 0.8834 0.8750 0.0403 0.0076 0.0116 281 CYS A SG 2124 N N . ILE A 281 ? 0.6441 0.6679 0.6494 0.0505 0.0141 0.0114 282 ILE A N 2125 C CA . ILE A 281 ? 0.6457 0.6560 0.6428 0.0574 0.0195 0.0108 282 ILE A CA 2126 C C . ILE A 281 ? 0.6554 0.6422 0.6421 0.0507 0.0213 0.0081 282 ILE A C 2127 O O . ILE A 281 ? 0.6474 0.6356 0.6376 0.0408 0.0192 0.0063 282 ILE A O 2128 C CB . ILE A 281 ? 0.7035 0.7273 0.7069 0.0575 0.0219 0.0097 282 ILE A CB 2129 C CG1 . ILE A 281 ? 0.7228 0.7745 0.7361 0.0647 0.0209 0.0130 282 ILE A CG1 2130 C CG2 . ILE A 281 ? 0.7231 0.7288 0.7150 0.0631 0.0281 0.0079 282 ILE A CG2 2131 C CD1 . ILE A 281 ? 0.7539 0.8271 0.7776 0.0575 0.0206 0.0121 282 ILE A CD1 2132 N N . THR A 282 ? 0.6667 0.6323 0.6391 0.0563 0.0256 0.0082 283 THR A N 2133 C CA . THR A 282 ? 0.6745 0.6180 0.6339 0.0482 0.0282 0.0053 283 THR A CA 2134 C C . THR A 282 ? 0.6991 0.6240 0.6438 0.0543 0.0348 0.0036 283 THR A C 2135 O O . THR A 282 ? 0.7193 0.6464 0.6627 0.0681 0.0378 0.0058 283 THR A O 2136 C CB . THR A 282 ? 0.7134 0.6404 0.6621 0.0459 0.0279 0.0068 283 THR A CB 2137 O OG1 . THR A 282 ? 0.6882 0.5939 0.6207 0.0563 0.0329 0.0087 283 THR A OG1 2138 C CG2 . THR A 282 ? 0.7068 0.6493 0.6664 0.0459 0.0226 0.0096 283 THR A CG2 2139 N N . PRO A 283 ? 0.7230 0.6296 0.6546 0.0445 0.0375 -0.0002 284 PRO A N 2140 C CA . PRO A 283 ? 0.7616 0.6425 0.6727 0.0472 0.0446 -0.0032 284 PRO A CA 2141 C C . PRO A 283 ? 0.7946 0.6481 0.6861 0.0593 0.0502 -0.0010 284 PRO A C 2142 O O . PRO A 283 ? 0.8607 0.6930 0.7348 0.0677 0.0573 -0.0026 284 PRO A O 2143 C CB . PRO A 283 ? 0.7721 0.6411 0.6726 0.0293 0.0443 -0.0072 284 PRO A CB 2144 C CG . PRO A 283 ? 0.7663 0.6644 0.6876 0.0212 0.0376 -0.0064 284 PRO A CG 2145 C CD . PRO A 283 ? 0.7407 0.6528 0.6759 0.0293 0.0338 -0.0019 284 PRO A CD 2146 N N . ASN A 284 ? 0.8310 0.6826 0.7228 0.0608 0.0476 0.0028 285 ASN A N 2147 C CA . ASN A 284 ? 0.8853 0.7111 0.7580 0.0735 0.0525 0.0065 285 ASN A CA 2148 C C . ASN A 284 ? 0.8689 0.7147 0.7527 0.0939 0.0523 0.0119 285 ASN A C 2149 O O . ASN A 284 ? 0.9315 0.7592 0.7996 0.1098 0.0572 0.0160 285 ASN A O 2150 C CB . ASN A 284 ? 0.8708 0.6899 0.7402 0.0659 0.0494 0.0091 285 ASN A CB 2151 C CG . ASN A 284 ? 0.9571 0.7659 0.8190 0.0443 0.0487 0.0048 285 ASN A CG 2152 O OD1 . ASN A 284 ? 0.9673 0.8015 0.8472 0.0330 0.0431 0.0031 285 ASN A OD1 2153 N ND2 . ASN A 284 ? 1.0983 0.8698 0.9319 0.0383 0.0548 0.0032 285 ASN A ND2 2154 N N . GLY A 285 ? 0.8439 0.7277 0.7535 0.0931 0.0466 0.0123 286 GLY A N 2155 C CA . GLY A 285 ? 0.8252 0.7368 0.7483 0.1087 0.0451 0.0173 286 GLY A CA 2156 C C . GLY A 285 ? 0.7620 0.7041 0.7065 0.1002 0.0364 0.0187 286 GLY A C 2157 O O . GLY A 285 ? 0.7857 0.7245 0.7331 0.0853 0.0326 0.0161 286 GLY A O 2158 N N . SER A 286 ? 0.7355 0.7086 0.6940 0.1095 0.0337 0.0227 287 SER A N 2159 C CA . SER A 286 ? 0.7641 0.7636 0.7389 0.1014 0.0259 0.0238 287 SER A CA 2160 C C . SER A 286 ? 0.7823 0.7680 0.7484 0.1017 0.0237 0.0265 287 SER A C 2161 O O . SER A 286 ? 0.8014 0.7658 0.7513 0.1133 0.0279 0.0300 287 SER A O 2162 C CB . SER A 286 ? 0.7715 0.8092 0.7607 0.1101 0.0237 0.0277 287 SER A CB 2163 O OG . SER A 286 ? 0.8702 0.9221 0.8673 0.1088 0.0262 0.0255 287 SER A OG 2164 N N . ILE A 287 ? 0.7835 0.7790 0.7583 0.0892 0.0177 0.0251 288 ILE A N 2165 C CA . ILE A 287 ? 0.7567 0.7449 0.7252 0.0892 0.0151 0.0278 288 ILE A CA 2166 C C . ILE A 287 ? 0.7664 0.7836 0.7476 0.0860 0.0085 0.0290 288 ILE A C 2167 O O . ILE A 287 ? 0.8173 0.8552 0.8110 0.0782 0.0055 0.0263 288 ILE A O 2168 C CB . ILE A 287 ? 0.7485 0.7152 0.7100 0.0761 0.0152 0.0245 288 ILE A CB 2169 C CG1 . ILE A 287 ? 0.7415 0.7229 0.7157 0.0628 0.0109 0.0205 288 ILE A CG1 2170 C CG2 . ILE A 287 ? 0.8158 0.7553 0.7639 0.0741 0.0214 0.0220 288 ILE A CG2 2171 C CD1 . ILE A 287 ? 0.7558 0.7216 0.7248 0.0520 0.0120 0.0176 288 ILE A CD1 2172 N N . SER A 288 ? 0.8585 0.8749 0.8337 0.0911 0.0064 0.0331 289 SER A N 2173 C CA . SER A 288 ? 0.8048 0.8458 0.7881 0.0868 0.0000 0.0340 289 SER A CA 2174 C C . SER A 288 ? 0.7662 0.8015 0.7517 0.0707 -0.0027 0.0286 289 SER A C 2175 O O . SER A 288 ? 0.7902 0.8034 0.7698 0.0652 0.0000 0.0261 289 SER A O 2176 C CB . SER A 288 ? 0.8366 0.8766 0.8106 0.0975 -0.0012 0.0403 289 SER A CB 2177 O OG . SER A 288 ? 0.8867 0.9477 0.8661 0.0905 -0.0078 0.0401 289 SER A OG 2178 N N . ASN A 289 ? 0.8171 0.8738 0.8094 0.0638 -0.0080 0.0275 290 ASN A N 2179 C CA . ASN A 289 ? 0.7932 0.8493 0.7875 0.0493 -0.0103 0.0221 290 ASN A CA 2180 C C . ASN A 289 ? 0.7568 0.8114 0.7445 0.0446 -0.0138 0.0216 290 ASN A C 2181 O O . ASN A 289 ? 0.7402 0.7891 0.7257 0.0346 -0.0147 0.0173 290 ASN A O 2182 C CB . ASN A 289 ? 0.8618 0.9443 0.8656 0.0433 -0.0134 0.0209 290 ASN A CB 2183 C CG . ASN A 289 ? 0.8496 0.9253 0.8547 0.0308 -0.0126 0.0156 290 ASN A CG 2184 O OD1 . ASN A 289 ? 0.9972 1.0512 0.9975 0.0283 -0.0101 0.0132 290 ASN A OD1 2185 N ND2 . ASN A 289 ? 0.9402 1.0355 0.9512 0.0230 -0.0145 0.0143 290 ASN A ND2 2186 N N . ASP A 290 ? 0.7886 0.8485 0.7716 0.0524 -0.0156 0.0263 291 ASP A N 2187 C CA . ASP A 290 ? 0.8837 0.9477 0.8606 0.0473 -0.0197 0.0257 291 ASP A CA 2188 C C . ASP A 290 ? 0.8233 0.8633 0.7907 0.0446 -0.0171 0.0241 291 ASP A C 2189 O O . ASP A 290 ? 0.9294 0.9682 0.8918 0.0371 -0.0189 0.0208 291 ASP A O 2190 C CB . ASP A 290 ? 0.9623 1.0464 0.9378 0.0564 -0.0234 0.0318 291 ASP A CB 2191 C CG . ASP A 290 ? 1.0906 1.1613 1.0597 0.0718 -0.0196 0.0384 291 ASP A CG 2192 O OD1 . ASP A 290 ? 1.1749 1.2373 1.1462 0.0787 -0.0151 0.0395 291 ASP A OD1 2193 O OD2 . ASP A 290 ? 1.3031 1.3691 1.2626 0.0769 -0.0205 0.0425 291 ASP A OD2 2194 N N . LYS A 291 ? 0.7528 0.7740 0.7166 0.0496 -0.0123 0.0260 292 LYS A N 2195 C CA . LYS A 291 ? 0.7121 0.7159 0.6685 0.0454 -0.0095 0.0247 292 LYS A CA 2196 C C . LYS A 291 ? 0.7386 0.7368 0.6991 0.0378 -0.0073 0.0196 292 LYS A C 2197 O O . LYS A 291 ? 0.7427 0.7437 0.7104 0.0365 -0.0067 0.0177 292 LYS A O 2198 C CB . LYS A 291 ? 0.7200 0.7069 0.6688 0.0507 -0.0052 0.0289 292 LYS A CB 2199 C CG . LYS A 291 ? 0.7250 0.7122 0.6666 0.0613 -0.0060 0.0352 292 LYS A CG 2200 C CD . LYS A 291 ? 0.7810 0.7442 0.7110 0.0657 -0.0003 0.0389 292 LYS A CD 2201 C CE . LYS A 291 ? 0.8685 0.8273 0.7871 0.0781 -0.0002 0.0463 292 LYS A CE 2202 N NZ . LYS A 291 ? 0.8963 0.8744 0.8218 0.0897 -0.0028 0.0492 292 LYS A NZ 2203 N N . PRO A 292 ? 0.7253 0.7163 0.6803 0.0340 -0.0058 0.0179 293 PRO A N 2204 C CA . PRO A 292 ? 0.6942 0.6812 0.6511 0.0297 -0.0033 0.0143 293 PRO A CA 2205 C C . PRO A 292 ? 0.7253 0.7071 0.6852 0.0293 0.0005 0.0152 293 PRO A C 2206 O O . PRO A 292 ? 0.8020 0.7842 0.7654 0.0273 0.0020 0.0130 293 PRO A O 2207 C CB . PRO A 292 ? 0.7294 0.7131 0.6778 0.0289 -0.0024 0.0135 293 PRO A CB 2208 C CG . PRO A 292 ? 0.7465 0.7293 0.6895 0.0316 -0.0027 0.0176 293 PRO A CG 2209 C CD . PRO A 292 ? 0.7186 0.7073 0.6644 0.0350 -0.0062 0.0199 293 PRO A CD 2210 N N . PHE A 293 ? 0.6781 0.6540 0.6344 0.0306 0.0022 0.0184 294 PHE A N 2211 C CA . PHE A 293 ? 0.6951 0.6655 0.6512 0.0272 0.0057 0.0188 294 PHE A CA 2212 C C . PHE A 293 ? 0.7387 0.6990 0.6913 0.0296 0.0071 0.0206 294 PHE A C 2213 O O . PHE A 293 ? 0.7588 0.7163 0.7078 0.0359 0.0059 0.0231 294 PHE A O 2214 C CB . PHE A 293 ? 0.7500 0.7186 0.6994 0.0234 0.0083 0.0207 294 PHE A CB 2215 C CG . PHE A 293 ? 0.7541 0.7313 0.7040 0.0239 0.0082 0.0197 294 PHE A CG 2216 C CD1 . PHE A 293 ? 0.7551 0.7390 0.7103 0.0243 0.0088 0.0172 294 PHE A CD1 2217 C CD2 . PHE A 293 ? 0.7930 0.7697 0.7357 0.0250 0.0081 0.0214 294 PHE A CD2 2218 C CE1 . PHE A 293 ? 0.7741 0.7621 0.7263 0.0271 0.0099 0.0164 294 PHE A CE1 2219 C CE2 . PHE A 293 ? 0.7398 0.7224 0.6805 0.0265 0.0090 0.0201 294 PHE A CE2 2220 C CZ . PHE A 293 ? 0.7819 0.7691 0.7268 0.0282 0.0102 0.0175 294 PHE A CZ 2221 N N . GLN A 294 ? 0.7359 0.6904 0.6876 0.0251 0.0100 0.0195 295 GLN A N 2222 C CA . GLN A 294 ? 0.7399 0.6790 0.6835 0.0271 0.0128 0.0205 295 GLN A CA 2223 C C . GLN A 294 ? 0.7202 0.6494 0.6561 0.0174 0.0165 0.0194 295 GLN A C 2224 O O . GLN A 294 ? 0.7897 0.7308 0.7314 0.0103 0.0162 0.0177 295 GLN A O 2225 C CB . GLN A 294 ? 0.7533 0.6974 0.7044 0.0332 0.0118 0.0190 295 GLN A CB 2226 C CG . GLN A 294 ? 0.7524 0.7085 0.7144 0.0286 0.0108 0.0154 295 GLN A CG 2227 C CD . GLN A 294 ? 0.7539 0.7029 0.7130 0.0240 0.0140 0.0133 295 GLN A CD 2228 O OE1 . GLN A 294 ? 0.7778 0.7360 0.7439 0.0202 0.0134 0.0112 295 GLN A OE1 2229 N NE2 . GLN A 294 ? 0.7135 0.6441 0.6597 0.0242 0.0176 0.0140 295 GLN A NE2 2230 N N . ASN A 295 ? 0.7375 0.6446 0.6584 0.0172 0.0203 0.0205 296 ASN A N 2231 C CA . ASN A 295 ? 0.7329 0.6255 0.6407 0.0050 0.0245 0.0191 296 ASN A CA 2232 C C . ASN A 295 ? 0.7750 0.6477 0.6721 0.0059 0.0283 0.0167 296 ASN A C 2233 O O . ASN A 295 ? 0.8115 0.6647 0.6916 -0.0048 0.0325 0.0151 296 ASN A O 2234 C CB . ASN A 295 ? 0.7423 0.6179 0.6337 0.0014 0.0271 0.0227 296 ASN A CB 2235 C CG . ASN A 295 ? 0.8096 0.6702 0.6848 -0.0147 0.0315 0.0214 296 ASN A CG 2236 O OD1 . ASN A 295 ? 0.8651 0.7434 0.7471 -0.0266 0.0307 0.0190 296 ASN A OD1 2237 N ND2 . ASN A 295 ? 0.8494 0.6770 0.7009 -0.0158 0.0364 0.0234 296 ASN A ND2 2238 N N . VAL A 296 ? 0.7499 0.6276 0.6554 0.0182 0.0271 0.0163 297 VAL A N 2239 C CA . VAL A 296 ? 0.7949 0.6569 0.6919 0.0233 0.0309 0.0144 297 VAL A CA 2240 C C . VAL A 296 ? 0.7778 0.6455 0.6781 0.0131 0.0314 0.0095 297 VAL A C 2241 O O . VAL A 296 ? 0.8148 0.6606 0.6977 0.0070 0.0361 0.0068 297 VAL A O 2242 C CB . VAL A 296 ? 0.7925 0.6674 0.7011 0.0396 0.0290 0.0163 297 VAL A CB 2243 C CG1 . VAL A 296 ? 0.8550 0.7171 0.7557 0.0469 0.0337 0.0146 297 VAL A CG1 2244 C CG2 . VAL A 296 ? 0.7836 0.6555 0.6879 0.0505 0.0282 0.0217 297 VAL A CG2 2245 N N . ASN A 297 ? 0.7294 0.6245 0.6493 0.0114 0.0269 0.0084 298 ASN A N 2246 C CA . ASN A 297 ? 0.6907 0.5946 0.6145 0.0030 0.0268 0.0049 298 ASN A CA 2247 C C . ASN A 297 ? 0.6631 0.5943 0.6049 0.0011 0.0223 0.0053 298 ASN A C 2248 O O . ASN A 297 ? 0.6599 0.6026 0.6133 0.0089 0.0194 0.0068 298 ASN A O 2249 C CB . ASN A 297 ? 0.7642 0.6634 0.6879 0.0107 0.0289 0.0029 298 ASN A CB 2250 C CG . ASN A 297 ? 0.7312 0.6240 0.6461 0.0009 0.0314 -0.0012 298 ASN A CG 2251 O OD1 . ASN A 297 ? 0.7591 0.6708 0.6836 -0.0063 0.0287 -0.0023 298 ASN A OD1 2252 N ND2 . ASN A 297 ? 0.7767 0.6417 0.6712 0.0010 0.0370 -0.0032 298 ASN A ND2 2253 N N . LYS A 298 ? 0.7048 0.6461 0.6470 -0.0093 0.0219 0.0039 299 LYS A N 2254 C CA . LYS A 298 ? 0.6580 0.6232 0.6144 -0.0087 0.0187 0.0049 299 LYS A CA 2255 C C . LYS A 298 ? 0.7139 0.6843 0.6782 -0.0029 0.0180 0.0038 299 LYS A C 2256 O O . LYS A 298 ? 0.6720 0.6562 0.6463 0.0006 0.0158 0.0052 299 LYS A O 2257 C CB . LYS A 298 ? 0.6504 0.6296 0.6050 -0.0200 0.0186 0.0051 299 LYS A CB 2258 C CG . LYS A 298 ? 0.6709 0.6456 0.6161 -0.0299 0.0203 0.0019 299 LYS A CG 2259 C CD . LYS A 298 ? 0.7635 0.7518 0.7033 -0.0445 0.0202 0.0025 299 LYS A CD 2260 C CE . LYS A 298 ? 0.8181 0.8044 0.7461 -0.0583 0.0215 -0.0010 299 LYS A CE 2261 N NZ . LYS A 298 ? 0.8982 0.8495 0.8077 -0.0611 0.0257 -0.0055 299 LYS A NZ 2262 N N . VAL A 299 ? 0.7294 0.6871 0.6872 -0.0018 0.0205 0.0013 300 VAL A N 2263 C CA . VAL A 299 ? 0.6883 0.6516 0.6533 0.0036 0.0205 0.0004 300 VAL A CA 2264 C C . VAL A 299 ? 0.6651 0.6282 0.6361 0.0135 0.0199 0.0018 300 VAL A C 2265 O O . VAL A 299 ? 0.6730 0.6240 0.6373 0.0191 0.0221 0.0020 300 VAL A O 2266 C CB . VAL A 299 ? 0.6735 0.6252 0.6283 0.0013 0.0242 -0.0028 300 VAL A CB 2267 C CG1 . VAL A 299 ? 0.6316 0.5903 0.5939 0.0080 0.0248 -0.0032 300 VAL A CG1 2268 C CG2 . VAL A 299 ? 0.6680 0.6239 0.6165 -0.0106 0.0242 -0.0045 300 VAL A CG2 2269 N N . THR A 300 ? 0.6577 0.6341 0.6396 0.0158 0.0171 0.0031 301 THR A N 2270 C CA . THR A 300 ? 0.7143 0.6954 0.7020 0.0222 0.0158 0.0043 301 THR A CA 2271 C C . THR A 300 ? 0.6873 0.6800 0.6831 0.0216 0.0149 0.0041 301 THR A C 2272 O O . THR A 300 ? 0.7197 0.7146 0.7161 0.0174 0.0150 0.0038 301 THR A O 2273 C CB . THR A 300 ? 0.7058 0.6889 0.6950 0.0227 0.0129 0.0060 301 THR A CB 2274 O OG1 . THR A 300 ? 0.6679 0.6569 0.6604 0.0190 0.0114 0.0061 301 THR A OG1 2275 C CG2 . THR A 300 ? 0.7203 0.6925 0.7008 0.0216 0.0139 0.0068 301 THR A CG2 2276 N N . TYR A 301 ? 0.6647 0.6659 0.6657 0.0253 0.0143 0.0047 302 TYR A N 2277 C CA . TYR A 301 ? 0.6206 0.6332 0.6280 0.0220 0.0134 0.0047 302 TYR A CA 2278 C C . TYR A 301 ? 0.6215 0.6456 0.6334 0.0227 0.0106 0.0059 302 TYR A C 2279 O O . TYR A 301 ? 0.6229 0.6522 0.6359 0.0294 0.0105 0.0072 302 TYR A O 2280 C CB . TYR A 301 ? 0.6357 0.6535 0.6447 0.0233 0.0167 0.0040 302 TYR A CB 2281 C CG . TYR A 301 ? 0.6127 0.6444 0.6279 0.0189 0.0164 0.0045 302 TYR A CG 2282 C CD1 . TYR A 301 ? 0.6290 0.6774 0.6504 0.0202 0.0153 0.0056 302 TYR A CD1 2283 C CD2 . TYR A 301 ? 0.6628 0.6919 0.6763 0.0127 0.0172 0.0042 302 TYR A CD2 2284 C CE1 . TYR A 301 ? 0.6557 0.7182 0.6816 0.0129 0.0152 0.0060 302 TYR A CE1 2285 C CE2 . TYR A 301 ? 0.6108 0.6494 0.6271 0.0067 0.0176 0.0049 302 TYR A CE2 2286 C CZ . TYR A 301 ? 0.6395 0.6949 0.6619 0.0056 0.0166 0.0054 302 TYR A CZ 2287 O OH . TYR A 301 ? 0.6954 0.7620 0.7196 -0.0031 0.0170 0.0060 302 TYR A OH 2288 N N . GLY A 302 ? 0.6387 0.6659 0.6513 0.0157 0.0086 0.0055 303 GLY A N 2289 C CA . GLY A 302 ? 0.6943 0.7336 0.7094 0.0129 0.0055 0.0059 303 GLY A CA 2290 C C . GLY A 302 ? 0.7256 0.7556 0.7346 0.0108 0.0029 0.0053 303 GLY A C 2291 O O . GLY A 302 ? 0.6864 0.7015 0.6896 0.0105 0.0040 0.0047 303 GLY A O 2292 N N . LYS A 303 ? 0.7321 0.7735 0.7423 0.0101 -0.0001 0.0058 304 LYS A N 2293 C CA . LYS A 303 ? 0.7488 0.7838 0.7523 0.0078 -0.0027 0.0051 304 LYS A CA 2294 C C . LYS A 303 ? 0.7042 0.7327 0.7063 0.0169 -0.0025 0.0070 304 LYS A C 2295 O O . LYS A 303 ? 0.6735 0.7117 0.6775 0.0223 -0.0042 0.0092 304 LYS A O 2296 C CB . LYS A 303 ? 0.8385 0.8925 0.8437 0.0019 -0.0066 0.0050 304 LYS A CB 2297 C CG . LYS A 303 ? 1.0304 1.0749 1.0245 -0.0078 -0.0086 0.0020 304 LYS A CG 2298 C CD . LYS A 303 ? 1.1645 1.2307 1.1591 -0.0174 -0.0128 0.0014 304 LYS A CD 2299 C CE . LYS A 303 ? 1.2443 1.2944 1.2230 -0.0308 -0.0135 -0.0029 304 LYS A CE 2300 N NZ . LYS A 303 ? 1.3195 1.3912 1.2962 -0.0420 -0.0185 -0.0040 304 LYS A NZ 2301 N N . CYS A 304 ? 0.7780 0.7911 0.7758 0.0185 -0.0001 0.0066 305 CYS A N 2302 C CA . CYS A 304 ? 0.8120 0.8182 0.8074 0.0247 0.0011 0.0085 305 CYS A CA 2303 C C . CYS A 304 ? 0.7218 0.7199 0.7106 0.0245 0.0007 0.0088 305 CYS A C 2304 O O . CYS A 304 ? 0.7260 0.7192 0.7114 0.0216 0.0012 0.0074 305 CYS A O 2305 C CB . CYS A 304 ? 0.9050 0.9042 0.9006 0.0253 0.0045 0.0082 305 CYS A CB 2306 S SG . CYS A 304 ? 1.1051 1.1117 1.1061 0.0283 0.0064 0.0082 305 CYS A SG 2307 N N . PRO A 305 ? 0.7018 0.6976 0.6872 0.0288 0.0004 0.0111 306 PRO A N 2308 C CA . PRO A 305 ? 0.6932 0.6820 0.6723 0.0281 0.0011 0.0118 306 PRO A CA 2309 C C . PRO A 305 ? 0.7063 0.6899 0.6847 0.0256 0.0043 0.0114 306 PRO A C 2310 O O . PRO A 305 ? 0.7024 0.6847 0.6832 0.0249 0.0059 0.0110 306 PRO A O 2311 C CB . PRO A 305 ? 0.7112 0.6964 0.6854 0.0330 0.0011 0.0151 306 PRO A CB 2312 C CG . PRO A 305 ? 0.6986 0.6917 0.6767 0.0383 -0.0002 0.0164 306 PRO A CG 2313 C CD . PRO A 305 ? 0.7063 0.7037 0.6915 0.0355 0.0007 0.0139 306 PRO A CD 2314 N N . LYS A 306 ? 0.7108 0.6937 0.6856 0.0243 0.0053 0.0117 307 LYS A N 2315 C CA . LYS A 306 ? 0.6475 0.6329 0.6229 0.0219 0.0078 0.0121 307 LYS A CA 2316 C C . LYS A 306 ? 0.6207 0.6026 0.5920 0.0182 0.0097 0.0137 307 LYS A C 2317 O O . LYS A 306 ? 0.6348 0.6115 0.6002 0.0183 0.0099 0.0154 307 LYS A O 2318 C CB . LYS A 306 ? 0.7295 0.7188 0.7024 0.0238 0.0088 0.0123 307 LYS A CB 2319 C CG . LYS A 306 ? 0.8211 0.8059 0.7915 0.0262 0.0076 0.0102 307 LYS A CG 2320 C CD . LYS A 306 ? 0.9359 0.9195 0.9000 0.0303 0.0102 0.0103 307 LYS A CD 2321 C CE . LYS A 306 ? 1.0009 0.9734 0.9586 0.0308 0.0101 0.0076 307 LYS A CE 2322 N NZ . LYS A 306 ? 0.9816 0.9491 0.9342 0.0273 0.0073 0.0052 307 LYS A NZ 2323 N N . TYR A 307 ? 0.6668 0.6502 0.6391 0.0140 0.0113 0.0131 308 TYR A N 2324 C CA . TYR A 307 ? 0.6659 0.6425 0.6308 0.0075 0.0135 0.0137 308 TYR A CA 2325 C C . TYR A 307 ? 0.7005 0.6860 0.6626 0.0021 0.0148 0.0156 308 TYR A C 2326 O O . TYR A 307 ? 0.7102 0.7120 0.6779 0.0022 0.0148 0.0162 308 TYR A O 2327 C CB . TYR A 307 ? 0.6495 0.6268 0.6149 0.0027 0.0146 0.0118 308 TYR A CB 2328 C CG . TYR A 307 ? 0.6751 0.6416 0.6286 -0.0067 0.0174 0.0115 308 TYR A CG 2329 C CD1 . TYR A 307 ? 0.6661 0.6102 0.6084 -0.0054 0.0196 0.0110 308 TYR A CD1 2330 C CD2 . TYR A 307 ? 0.6514 0.6298 0.6028 -0.0171 0.0183 0.0120 308 TYR A CD2 2331 C CE1 . TYR A 307 ? 0.6716 0.5989 0.5978 -0.0152 0.0231 0.0103 308 TYR A CE1 2332 C CE2 . TYR A 307 ? 0.6670 0.6338 0.6046 -0.0293 0.0210 0.0112 308 TYR A CE2 2333 C CZ . TYR A 307 ? 0.6779 0.6158 0.6013 -0.0288 0.0237 0.0100 308 TYR A CZ 2334 O OH . TYR A 307 ? 0.6910 0.6107 0.5955 -0.0421 0.0274 0.0088 308 TYR A OH 2335 N N . ILE A 308 ? 0.6979 0.6734 0.6504 -0.0019 0.0163 0.0173 309 ILE A N 2336 C CA . ILE A 308 ? 0.6993 0.6847 0.6478 -0.0100 0.0182 0.0194 309 ILE A CA 2337 C C . ILE A 308 ? 0.6636 0.6337 0.5978 -0.0218 0.0212 0.0198 309 ILE A C 2338 O O . ILE A 308 ? 0.7311 0.6785 0.6564 -0.0206 0.0222 0.0188 309 ILE A O 2339 C CB . ILE A 308 ? 0.7170 0.7060 0.6650 -0.0047 0.0179 0.0217 309 ILE A CB 2340 C CG1 . ILE A 308 ? 0.7818 0.7501 0.7202 -0.0018 0.0178 0.0229 309 ILE A CG1 2341 C CG2 . ILE A 308 ? 0.6957 0.6942 0.6527 0.0055 0.0159 0.0206 309 ILE A CG2 2342 C CD1 . ILE A 308 ? 0.7830 0.7548 0.7200 0.0033 0.0170 0.0249 309 ILE A CD1 2343 N N . ARG A 309 ? 0.6687 0.6508 0.5990 -0.0332 0.0231 0.0215 310 ARG A N 2344 C CA . ARG A 309 ? 0.7839 0.7498 0.6970 -0.0487 0.0265 0.0214 310 ARG A CA 2345 C C . ARG A 309 ? 0.7729 0.7123 0.6697 -0.0491 0.0291 0.0239 310 ARG A C 2346 O O . ARG A 309 ? 0.8135 0.7274 0.6912 -0.0591 0.0327 0.0236 310 ARG A O 2347 C CB . ARG A 309 ? 0.8484 0.8414 0.7630 -0.0636 0.0276 0.0226 310 ARG A CB 2348 C CG . ARG A 309 ? 0.9173 0.9372 0.8455 -0.0630 0.0253 0.0212 310 ARG A CG 2349 C CD . ARG A 309 ? 1.0431 1.0834 0.9668 -0.0826 0.0264 0.0213 310 ARG A CD 2350 N NE . ARG A 309 ? 1.0673 1.1382 1.0044 -0.0804 0.0239 0.0212 310 ARG A NE 2351 C CZ . ARG A 309 ? 0.9903 1.0537 0.9283 -0.0787 0.0223 0.0179 310 ARG A CZ 2352 N NH1 . ARG A 309 ? 0.9534 0.9804 0.8804 -0.0779 0.0234 0.0141 310 ARG A NH1 2353 N NH2 . ARG A 309 ? 0.9487 1.0430 0.8983 -0.0761 0.0201 0.0191 310 ARG A NH2 2354 N N . GLN A 310 ? 0.7777 0.7211 0.6796 -0.0382 0.0277 0.0265 311 GLN A N 2355 C CA . GLN A 310 ? 0.7688 0.6904 0.6559 -0.0367 0.0297 0.0299 311 GLN A CA 2356 C C . GLN A 310 ? 0.8194 0.7148 0.6997 -0.0244 0.0293 0.0300 311 GLN A C 2357 O O . GLN A 310 ? 0.8030 0.7065 0.6965 -0.0130 0.0259 0.0280 311 GLN A O 2358 C CB . GLN A 310 ? 0.7381 0.6765 0.6329 -0.0292 0.0279 0.0325 311 GLN A CB 2359 C CG . GLN A 310 ? 0.7262 0.6945 0.6288 -0.0364 0.0289 0.0334 311 GLN A CG 2360 C CD . GLN A 310 ? 0.7356 0.7291 0.6565 -0.0268 0.0260 0.0312 311 GLN A CD 2361 O OE1 . GLN A 310 ? 0.7665 0.7588 0.6947 -0.0221 0.0239 0.0284 311 GLN A OE1 2362 N NE2 . GLN A 310 ? 0.7704 0.7851 0.6967 -0.0234 0.0268 0.0329 311 GLN A NE2 2363 N N . ASN A 311 ? 0.8435 0.7085 0.7024 -0.0260 0.0332 0.0328 312 ASN A N 2364 C CA . ASN A 311 ? 0.9036 0.7448 0.7541 -0.0115 0.0337 0.0342 312 ASN A CA 2365 C C . ASN A 311 ? 0.8736 0.7162 0.7245 0.0017 0.0314 0.0390 312 ASN A C 2366 O O . ASN A 311 ? 0.8730 0.7063 0.7215 0.0164 0.0307 0.0411 312 ASN A O 2367 C CB . ASN A 311 ? 1.0014 0.8029 0.8240 -0.0176 0.0403 0.0349 312 ASN A CB 2368 C CG . ASN A 311 ? 1.1284 0.9109 0.9298 -0.0276 0.0444 0.0392 312 ASN A CG 2369 O OD1 . ASN A 311 ? 1.3249 1.0848 1.1110 -0.0174 0.0465 0.0444 312 ASN A OD1 2370 N ND2 . ASN A 311 ? 1.2171 1.0121 1.0181 -0.0473 0.0455 0.0378 312 ASN A ND2 2371 N N . THR A 312 ? 0.8511 0.7079 0.7047 -0.0031 0.0304 0.0410 313 THR A N 2372 C CA . THR A 312 ? 0.8844 0.7456 0.7381 0.0079 0.0278 0.0451 313 THR A CA 2373 C C . THR A 312 ? 0.8463 0.7346 0.7120 0.0041 0.0254 0.0442 313 THR A C 2374 O O . THR A 312 ? 0.8076 0.7044 0.6730 -0.0084 0.0279 0.0435 313 THR A O 2375 C CB . THR A 312 ? 0.9278 0.7591 0.7562 0.0091 0.0321 0.0514 313 THR A CB 2376 O OG1 . THR A 312 ? 1.0049 0.8457 0.8347 0.0191 0.0289 0.0555 313 THR A OG1 2377 C CG2 . THR A 312 ? 0.9647 0.7852 0.7782 -0.0092 0.0373 0.0525 313 THR A CG2 2378 N N . LEU A 313 ? 0.7884 0.6910 0.6636 0.0148 0.0207 0.0442 314 LEU A N 2379 C CA . LEU A 313 ? 0.7919 0.7140 0.6730 0.0140 0.0191 0.0436 314 LEU A CA 2380 C C . LEU A 313 ? 0.8332 0.7575 0.7118 0.0244 0.0153 0.0458 314 LEU A C 2381 O O . LEU A 313 ? 0.8580 0.7875 0.7438 0.0326 0.0110 0.0444 314 LEU A O 2382 C CB . LEU A 313 ? 0.7447 0.6877 0.6427 0.0136 0.0172 0.0382 314 LEU A CB 2383 C CG . LEU A 313 ? 0.7560 0.7069 0.6590 0.0038 0.0202 0.0362 314 LEU A CG 2384 C CD1 . LEU A 313 ? 0.7312 0.7000 0.6492 0.0077 0.0182 0.0319 314 LEU A CD1 2385 C CD2 . LEU A 313 ? 0.7490 0.7061 0.6446 -0.0055 0.0243 0.0392 314 LEU A CD2 2386 N N . LYS A 314 ? 0.8201 0.7435 0.6884 0.0229 0.0166 0.0494 315 LYS A N 2387 C CA . LYS A 314 ? 0.8331 0.7576 0.6956 0.0319 0.0130 0.0525 315 LYS A CA 2388 C C . LYS A 314 ? 0.8022 0.7454 0.6703 0.0320 0.0105 0.0489 315 LYS A C 2389 O O . LYS A 314 ? 0.7742 0.7232 0.6404 0.0262 0.0138 0.0482 315 LYS A O 2390 C CB . LYS A 314 ? 0.9016 0.8076 0.7445 0.0311 0.0167 0.0598 315 LYS A CB 2391 C CG . LYS A 314 ? 0.9472 0.8274 0.7785 0.0334 0.0198 0.0637 315 LYS A CG 2392 C CD . LYS A 314 ? 1.0197 0.8990 0.8508 0.0493 0.0158 0.0668 315 LYS A CD 2393 C CE . LYS A 314 ? 1.1291 0.9792 0.9450 0.0551 0.0203 0.0712 315 LYS A CE 2394 N NZ . LYS A 314 ? 1.2167 1.0534 1.0147 0.0684 0.0206 0.0802 315 LYS A NZ 2395 N N . LEU A 315 ? 0.7971 0.7501 0.6707 0.0382 0.0050 0.0464 316 LEU A N 2396 C CA . LEU A 315 ? 0.8062 0.7718 0.6805 0.0378 0.0027 0.0421 316 LEU A CA 2397 C C . LEU A 315 ? 0.8130 0.7813 0.6761 0.0421 -0.0007 0.0457 316 LEU A C 2398 O O . LEU A 315 ? 0.8335 0.8059 0.6970 0.0478 -0.0056 0.0480 316 LEU A O 2399 C CB . LEU A 315 ? 0.7846 0.7586 0.6701 0.0382 -0.0010 0.0358 316 LEU A CB 2400 C CG . LEU A 315 ? 0.7714 0.7525 0.6532 0.0368 -0.0031 0.0304 316 LEU A CG 2401 C CD1 . LEU A 315 ? 0.7642 0.7441 0.6460 0.0346 0.0021 0.0265 316 LEU A CD1 2402 C CD2 . LEU A 315 ? 0.7565 0.7442 0.6445 0.0360 -0.0083 0.0260 316 LEU A CD2 2403 N N . ALA A 316 ? 0.8315 0.8004 0.6846 0.0399 0.0016 0.0465 317 ALA A N 2404 C CA . ALA A 316 ? 0.8093 0.7813 0.6500 0.0435 -0.0016 0.0502 317 ALA A CA 2405 C C . ALA A 316 ? 0.7915 0.7764 0.6350 0.0447 -0.0083 0.0454 317 ALA A C 2406 O O . ALA A 316 ? 0.8921 0.8805 0.7416 0.0408 -0.0086 0.0379 317 ALA A O 2407 C CB . ALA A 316 ? 0.8190 0.7910 0.6490 0.0400 0.0027 0.0505 317 ALA A CB 2408 N N . THR A 317 ? 0.8117 0.8037 0.6497 0.0499 -0.0136 0.0502 318 THR A N 2409 C CA . THR A 317 ? 0.8552 0.8646 0.6934 0.0487 -0.0209 0.0464 318 THR A CA 2410 C C . THR A 317 ? 0.8634 0.8803 0.6867 0.0509 -0.0242 0.0507 318 THR A C 2411 O O . THR A 317 ? 0.9198 0.9547 0.7418 0.0513 -0.0312 0.0509 318 THR A O 2412 C CB . THR A 317 ? 0.8923 0.9142 0.7418 0.0534 -0.0260 0.0486 318 THR A CB 2413 O OG1 . THR A 317 ? 0.8898 0.9050 0.7369 0.0641 -0.0244 0.0584 318 THR A OG1 2414 C CG2 . THR A 317 ? 0.8942 0.9133 0.7578 0.0487 -0.0244 0.0421 318 THR A CG2 2415 N N . GLY A 318 ? 0.8276 0.8328 0.6396 0.0515 -0.0191 0.0544 319 GLY A N 2416 C CA . GLY A 318 ? 0.8228 0.8326 0.6186 0.0533 -0.0210 0.0588 319 GLY A CA 2417 C C . GLY A 318 ? 0.8463 0.8438 0.6316 0.0501 -0.0136 0.0593 319 GLY A C 2418 O O . GLY A 318 ? 0.8190 0.8065 0.6102 0.0469 -0.0071 0.0575 319 GLY A O 2419 N N . MET A 319 ? 0.8789 0.8801 0.6485 0.0507 -0.0146 0.0622 320 MET A N 2420 C CA . MET A 319 ? 0.8775 0.8709 0.6358 0.0476 -0.0076 0.0629 320 MET A CA 2421 C C . MET A 319 ? 0.8888 0.8680 0.6426 0.0494 -0.0019 0.0728 320 MET A C 2422 O O . MET A 319 ? 0.8881 0.8600 0.6423 0.0550 -0.0035 0.0799 320 MET A O 2423 C CB . MET A 319 ? 0.8745 0.8762 0.6153 0.0473 -0.0105 0.0631 320 MET A CB 2424 C CG . MET A 319 ? 0.8777 0.8826 0.6080 0.0544 -0.0149 0.0741 320 MET A CG 2425 S SD . MET A 319 ? 0.9523 0.9708 0.6621 0.0529 -0.0196 0.0733 320 MET A SD 2426 C CE . MET A 319 ? 0.9393 0.9768 0.6573 0.0480 -0.0292 0.0631 320 MET A CE 2427 N N . ARG A 320 ? 0.9143 0.8890 0.6615 0.0442 0.0055 0.0730 321 ARG A N 2428 C CA . ARG A 320 ? 0.9582 0.9193 0.6954 0.0422 0.0117 0.0822 321 ARG A CA 2429 C C . ARG A 320 ? 0.9456 0.8999 0.6669 0.0496 0.0080 0.0923 321 ARG A C 2430 O O . ARG A 320 ? 0.9164 0.8811 0.6278 0.0528 0.0037 0.0927 321 ARG A O 2431 C CB . ARG A 320 ? 0.9826 0.9491 0.7127 0.0357 0.0189 0.0806 321 ARG A CB 2432 C CG . ARG A 320 ? 1.0549 1.0104 0.7697 0.0309 0.0255 0.0902 321 ARG A CG 2433 C CD . ARG A 320 ? 1.0647 1.0090 0.7854 0.0231 0.0311 0.0928 321 ARG A CD 2434 N NE . ARG A 320 ? 1.1163 1.0475 0.8187 0.0158 0.0377 0.1020 321 ARG A NE 2435 C CZ . ARG A 320 ? 1.1733 1.1154 0.8699 0.0078 0.0444 0.1028 321 ARG A CZ 2436 N NH1 . ARG A 320 ? 1.1746 1.1400 0.8818 0.0084 0.0457 0.0950 321 ARG A NH1 2437 N NH2 . ARG A 320 ? 1.1644 1.0931 0.8428 -0.0005 0.0505 0.1117 321 ARG A NH2 2438 N N . ASN A 321 ? 0.9795 0.9153 0.6962 0.0529 0.0099 0.1005 322 ASN A N 2439 C CA . ASN A 321 ? 0.9779 0.9037 0.6773 0.0632 0.0076 0.1118 322 ASN A CA 2440 C C . ASN A 321 ? 1.0305 0.9385 0.7081 0.0582 0.0151 0.1201 322 ASN A C 2441 O O . ASN A 321 ? 0.9682 0.8587 0.6430 0.0488 0.0228 0.1214 322 ASN A O 2442 C CB . ASN A 321 ? 0.9544 0.8650 0.6564 0.0718 0.0069 0.1166 322 ASN A CB 2443 C CG . ASN A 321 ? 0.9732 0.8761 0.6576 0.0870 0.0041 0.1288 322 ASN A CG 2444 O OD1 . ASN A 321 ? 0.9996 0.9243 0.6827 0.0946 -0.0031 0.1304 322 ASN A OD1 2445 N ND2 . ASN A 321 ? 0.9738 0.8454 0.6436 0.0920 0.0100 0.1375 322 ASN A ND2 2446 N N . VAL A 322 ? 1.0248 0.9390 0.6866 0.0629 0.0127 0.1256 323 VAL A N 2447 C CA . VAL A 322 ? 1.0584 0.9585 0.6980 0.0575 0.0197 0.1335 323 VAL A CA 2448 C C . VAL A 322 ? 1.1970 1.0841 0.8136 0.0702 0.0176 0.1468 323 VAL A C 2449 O O . VAL A 322 ? 1.1549 1.0590 0.7639 0.0763 0.0121 0.1489 323 VAL A O 2450 C CB . VAL A 322 ? 0.9975 0.9181 0.6365 0.0502 0.0208 0.1273 323 VAL A CB 2451 C CG1 . VAL A 322 ? 1.0165 0.9245 0.6350 0.0423 0.0294 0.1350 323 VAL A CG1 2452 C CG2 . VAL A 322 ? 0.9777 0.9134 0.6385 0.0424 0.0221 0.1145 323 VAL A CG2 2453 N N . PRO A 323 ? 1.3141 1.1696 0.9167 0.0744 0.0224 0.1563 324 PRO A N 2454 C CA . PRO A 323 ? 1.3550 1.1951 0.9338 0.0897 0.0212 0.1701 324 PRO A CA 2455 C C . PRO A 323 ? 1.3799 1.2097 0.9334 0.0841 0.0266 0.1780 324 PRO A C 2456 O O . PRO A 323 ? 1.3119 1.1442 0.8668 0.0673 0.0324 0.1729 324 PRO A O 2457 C CB . PRO A 323 ? 1.4587 1.2613 1.0277 0.0938 0.0273 0.1761 324 PRO A CB 2458 C CG . PRO A 323 ? 1.4738 1.2646 1.0492 0.0727 0.0352 0.1685 324 PRO A CG 2459 C CD . PRO A 323 ? 1.3611 1.1903 0.9634 0.0631 0.0309 0.1553 324 PRO A CD 2460 N N . GLU A 324 ? 1.4363 1.2556 0.9663 0.0986 0.0251 0.1912 325 GLU A N 2461 C CA . GLU A 324 ? 1.5247 1.3374 1.0297 0.0948 0.0291 0.1993 325 GLU A CA 2462 C C . GLU A 324 ? 1.5669 1.3421 1.0513 0.0791 0.0418 0.2043 325 GLU A C 2463 O O . GLU A 324 ? 1.4997 1.2372 0.9697 0.0810 0.0477 0.2107 325 GLU A O 2464 C CB . GLU A 324 ? 1.5947 1.4053 1.0781 0.1158 0.0242 0.2135 325 GLU A CB 2465 C CG . GLU A 324 ? 1.6421 1.4768 1.1155 0.1145 0.0206 0.2153 325 GLU A CG 2466 C CD . GLU A 324 ? 1.7609 1.5766 1.2002 0.1287 0.0221 0.2332 325 GLU A CD 2467 O OE1 . GLU A 324 ? 1.8018 1.6242 1.2366 0.1500 0.0154 0.2419 325 GLU A OE1 2468 O OE2 . GLU A 324 ? 1.8037 1.5996 1.2200 0.1189 0.0301 0.2391 325 GLU A OE2 2469 N N . LYS A 325 ? 1.6450 1.4312 1.1266 0.0632 0.0464 0.2012 326 LYS A N 2470 C CA . LYS A 325 ? 1.6991 1.4587 1.1632 0.0441 0.0584 0.2050 326 LYS A CA 2471 C C . LYS A 325 ? 1.7483 1.4808 1.1742 0.0472 0.0636 0.2206 326 LYS A C 2472 O O . LYS A 325 ? 1.7579 1.4482 1.1579 0.0533 0.0683 0.2318 326 LYS A O 2473 C CB . LYS A 325 ? 1.6119 1.4025 1.0942 0.0258 0.0615 0.1939 326 LYS A CB 2474 N N . GLY B 1 ? 1.0285 1.0931 0.9050 -0.0160 0.0120 0.0508 1 GLY B N 2475 C CA . GLY B 1 ? 1.0123 1.0894 0.9071 0.0016 0.0109 0.0420 1 GLY B CA 2476 C C . GLY B 1 ? 0.9957 1.1070 0.8910 0.0063 0.0129 0.0358 1 GLY B C 2477 O O . GLY B 1 ? 0.9568 1.0838 0.8418 -0.0023 0.0147 0.0388 1 GLY B O 2478 N N . ILE B 2 ? 0.8910 1.0117 0.7942 0.0213 0.0121 0.0270 2 ILE B N 2479 C CA . ILE B 2 ? 0.8813 1.0328 0.7803 0.0325 0.0131 0.0192 2 ILE B CA 2480 C C . ILE B 2 ? 0.8289 0.9812 0.7175 0.0361 0.0112 0.0190 2 ILE B C 2481 O O . ILE B 2 ? 0.8159 1.0006 0.6983 0.0414 0.0136 0.0144 2 ILE B O 2482 C CB . ILE B 2 ? 0.9307 1.0777 0.8306 0.0519 0.0102 0.0096 2 ILE B CB 2483 C CG1 . ILE B 2 ? 0.9577 1.0644 0.8535 0.0573 0.0038 0.0091 2 ILE B CG1 2484 C CG2 . ILE B 2 ? 0.9136 1.0705 0.8232 0.0494 0.0128 0.0089 2 ILE B CG2 2485 C CD1 . ILE B 2 ? 0.9376 1.0260 0.8291 0.0695 0.0000 0.0023 2 ILE B CD1 2486 N N . PHE B 3 ? 0.7984 0.9209 0.6847 0.0339 0.0071 0.0236 3 PHE B N 2487 C CA . PHE B 3 ? 0.8161 0.9393 0.6919 0.0361 0.0048 0.0237 3 PHE B CA 2488 C C . PHE B 3 ? 0.7720 0.9017 0.6409 0.0213 0.0071 0.0326 3 PHE B C 2489 O O . PHE B 3 ? 0.8017 0.9385 0.6614 0.0224 0.0062 0.0324 3 PHE B O 2490 C CB . PHE B 3 ? 0.8348 0.9284 0.7086 0.0414 -0.0018 0.0232 3 PHE B CB 2491 C CG . PHE B 3 ? 0.8714 0.9537 0.7398 0.0541 -0.0055 0.0140 3 PHE B CG 2492 C CD1 . PHE B 3 ? 0.9056 0.9898 0.7568 0.0664 -0.0078 0.0059 3 PHE B CD1 2493 C CD2 . PHE B 3 ? 0.9483 1.0155 0.8240 0.0545 -0.0068 0.0131 3 PHE B CD2 2494 C CE1 . PHE B 3 ? 0.9610 1.0245 0.7973 0.0792 -0.0126 -0.0027 3 PHE B CE1 2495 C CE2 . PHE B 3 ? 0.9581 1.0082 0.8219 0.0648 -0.0111 0.0052 3 PHE B CE2 2496 C CZ . PHE B 3 ? 1.0191 1.0639 0.8608 0.0774 -0.0145 -0.0026 3 PHE B CZ 2497 N N . GLY B 4 ? 0.8439 0.9659 0.7124 0.0069 0.0092 0.0403 4 GLY B N 2498 C CA . GLY B 4 ? 0.7858 0.9049 0.6387 -0.0099 0.0104 0.0495 4 GLY B CA 2499 C C . GLY B 4 ? 0.7900 0.8840 0.6337 -0.0071 0.0052 0.0549 4 GLY B C 2500 O O . GLY B 4 ? 0.9005 0.9954 0.7277 -0.0174 0.0054 0.0608 4 GLY B O 2501 N N . ALA B 5 ? 0.7393 0.8144 0.5923 0.0054 0.0005 0.0531 5 ALA B N 2502 C CA . ALA B 5 ? 0.7489 0.8064 0.5953 0.0099 -0.0050 0.0580 5 ALA B CA 2503 C C . ALA B 5 ? 0.8183 0.8472 0.6549 0.0077 -0.0074 0.0664 5 ALA B C 2504 O O . ALA B 5 ? 1.0149 1.0278 0.8298 0.0003 -0.0086 0.0742 5 ALA B O 2505 C CB . ALA B 5 ? 0.7248 0.7829 0.5832 0.0215 -0.0094 0.0521 5 ALA B CB 2506 N N . ILE B 6 ? 0.8292 0.8488 0.6775 0.0149 -0.0084 0.0647 6 ILE B N 2507 C CA . ILE B 6 ? 0.8473 0.8381 0.6841 0.0177 -0.0109 0.0709 6 ILE B CA 2508 C C . ILE B 6 ? 0.8748 0.8492 0.6930 0.0022 -0.0074 0.0751 6 ILE B C 2509 O O . ILE B 6 ? 0.9204 0.9120 0.7484 -0.0066 -0.0024 0.0709 6 ILE B O 2510 C CB . ILE B 6 ? 0.8013 0.7934 0.6565 0.0283 -0.0117 0.0667 6 ILE B CB 2511 C CG1 . ILE B 6 ? 0.7762 0.7853 0.6447 0.0386 -0.0161 0.0640 6 ILE B CG1 2512 C CG2 . ILE B 6 ? 0.8051 0.7675 0.6452 0.0339 -0.0137 0.0717 6 ILE B CG2 2513 C CD1 . ILE B 6 ? 0.7720 0.7903 0.6585 0.0441 -0.0166 0.0596 6 ILE B CD1 2514 N N . ALA B 7 ? 0.9626 0.9021 0.7499 -0.0012 -0.0110 0.0834 7 ALA B N 2515 C CA . ALA B 7 ? 0.9983 0.9154 0.7577 -0.0219 -0.0092 0.0889 7 ALA B CA 2516 C C . ALA B 7 ? 0.9749 0.9269 0.7366 -0.0418 -0.0037 0.0880 7 ALA B C 2517 O O . ALA B 7 ? 0.9202 0.8818 0.6760 -0.0612 0.0004 0.0884 7 ALA B O 2518 C CB . ALA B 7 ? 1.0436 0.9510 0.8082 -0.0239 -0.0071 0.0863 7 ALA B CB 2519 N N . GLY B 8 ? 0.9949 0.9699 0.7644 -0.0366 -0.0039 0.0864 8 GLY B N 2520 C CA . GLY B 8 ? 0.9435 0.9555 0.7128 -0.0516 0.0009 0.0850 8 GLY B CA 2521 C C . GLY B 8 ? 0.9551 0.9633 0.7093 -0.0511 -0.0021 0.0895 8 GLY B C 2522 O O . GLY B 8 ? 0.9974 0.9720 0.7181 -0.0623 -0.0057 0.0990 8 GLY B O 2523 N N . PHE B 9 ? 0.9499 0.9870 0.7240 -0.0379 -0.0016 0.0826 9 PHE B N 2524 C CA . PHE B 9 ? 0.9409 0.9782 0.7013 -0.0379 -0.0044 0.0863 9 PHE B CA 2525 C C . PHE B 9 ? 0.9719 0.9733 0.7227 -0.0241 -0.0123 0.0916 9 PHE B C 2526 O O . PHE B 9 ? 1.0055 0.9925 0.7342 -0.0263 -0.0162 0.0982 9 PHE B O 2527 C CB . PHE B 9 ? 0.9088 0.9876 0.6850 -0.0311 -0.0014 0.0774 9 PHE B CB 2528 C CG . PHE B 9 ? 0.8973 0.9811 0.6962 -0.0108 -0.0040 0.0683 9 PHE B CG 2529 C CD1 . PHE B 9 ? 0.8913 0.9598 0.6904 -0.0001 -0.0105 0.0696 9 PHE B CD1 2530 C CD2 . PHE B 9 ? 0.8930 0.9992 0.7090 -0.0035 -0.0005 0.0582 9 PHE B CD2 2531 C CE1 . PHE B 9 ? 0.8192 0.8926 0.6339 0.0123 -0.0135 0.0618 9 PHE B CE1 2532 C CE2 . PHE B 9 ? 0.8497 0.9526 0.6775 0.0116 -0.0040 0.0503 9 PHE B CE2 2533 C CZ . PHE B 9 ? 0.7776 0.8640 0.6040 0.0170 -0.0105 0.0524 9 PHE B CZ 2534 N N . ILE B 10 ? 0.9543 0.9448 0.7205 -0.0095 -0.0148 0.0888 10 ILE B N 2535 C CA . ILE B 10 ? 1.0137 0.9755 0.7690 0.0056 -0.0223 0.0939 10 ILE B CA 2536 C C . ILE B 10 ? 1.0860 1.0050 0.8110 -0.0010 -0.0238 0.1013 10 ILE B C 2537 O O . ILE B 10 ? 1.1056 1.0185 0.8374 -0.0031 -0.0211 0.0988 10 ILE B O 2538 C CB . ILE B 10 ? 0.9930 0.9675 0.7759 0.0230 -0.0243 0.0876 10 ILE B CB 2539 C CG1 . ILE B 10 ? 0.9861 0.9958 0.7941 0.0243 -0.0226 0.0790 10 ILE B CG1 2540 C CG2 . ILE B 10 ? 1.0353 0.9943 0.8076 0.0411 -0.0322 0.0924 10 ILE B CG2 2541 C CD1 . ILE B 10 ? 0.9992 1.0192 0.8036 0.0293 -0.0276 0.0799 10 ILE B CD1 2542 N N . GLU B 11 ? 1.1493 1.0339 0.8358 -0.0057 -0.0286 0.1104 11 GLU B N 2543 C CA . GLU B 11 ? 1.2001 1.0366 0.8469 -0.0190 -0.0303 0.1176 11 GLU B CA 2544 C C . GLU B 11 ? 1.2009 1.0104 0.8471 0.0005 -0.0339 0.1160 11 GLU B C 2545 O O . GLU B 11 ? 1.1760 0.9647 0.8115 -0.0102 -0.0318 0.1162 11 GLU B O 2546 C CB . GLU B 11 ? 1.3602 1.1538 0.9568 -0.0264 -0.0367 0.1283 11 GLU B CB 2547 C CG . GLU B 11 ? 1.5572 1.3122 1.1086 -0.0582 -0.0361 0.1361 11 GLU B CG 2548 C CD . GLU B 11 ? 1.6159 1.4206 1.1834 -0.0893 -0.0267 0.1341 11 GLU B CD 2549 O OE1 . GLU B 11 ? 1.6528 1.4724 1.2086 -0.1028 -0.0260 0.1380 11 GLU B OE1 2550 O OE2 . GLU B 11 ? 1.6212 1.4537 1.2121 -0.0992 -0.0202 0.1285 11 GLU B OE2 2551 N N . ASN B 12 ? 1.1474 0.9637 0.8067 0.0289 -0.0390 0.1137 12 ASN B N 2552 C CA . ASN B 12 ? 1.0767 0.8765 0.7364 0.0511 -0.0423 0.1115 12 ASN B CA 2553 C C . ASN B 12 ? 1.0466 0.8845 0.7380 0.0777 -0.0453 0.1063 12 ASN B C 2554 O O . ASN B 12 ? 0.9226 0.7954 0.6331 0.0787 -0.0457 0.1049 12 ASN B O 2555 C CB . ASN B 12 ? 1.1571 0.8872 0.7583 0.0588 -0.0503 0.1194 12 ASN B CB 2556 C CG . ASN B 12 ? 1.1817 0.8888 0.7495 0.0708 -0.0586 0.1263 12 ASN B CG 2557 O OD1 . ASN B 12 ? 1.1370 0.8725 0.7222 0.0956 -0.0626 0.1242 12 ASN B OD1 2558 N ND2 . ASN B 12 ? 1.2203 0.8752 0.7363 0.0517 -0.0619 0.1350 12 ASN B ND2 2559 N N . GLY B 13 ? 1.0569 0.8911 0.7531 0.0968 -0.0470 0.1033 13 GLY B N 2560 C CA . GLY B 13 ? 1.0181 0.8929 0.7408 0.1205 -0.0500 0.0989 13 GLY B CA 2561 C C . GLY B 13 ? 1.0889 0.9462 0.7806 0.1493 -0.0598 0.1036 13 GLY B C 2562 O O . GLY B 13 ? 1.1177 0.9183 0.7614 0.1534 -0.0649 0.1101 13 GLY B O 2563 N N . TRP B 14 ? 1.0576 0.9643 0.7736 0.1686 -0.0630 0.1003 14 TRP B N 2564 C CA . TRP B 14 ? 1.1079 1.0158 0.8015 0.1997 -0.0724 0.1034 14 TRP B CA 2565 C C . TRP B 14 ? 1.1236 1.0533 0.8223 0.2305 -0.0753 0.0991 14 TRP B C 2566 O O . TRP B 14 ? 1.0700 1.0628 0.8098 0.2300 -0.0726 0.0936 14 TRP B O 2567 C CB . TRP B 14 ? 1.1565 1.1188 0.8751 0.1965 -0.0743 0.1031 14 TRP B CB 2568 C CG . TRP B 14 ? 1.1555 1.1070 0.8707 0.1702 -0.0720 0.1064 14 TRP B CG 2569 C CD1 . TRP B 14 ? 1.1549 1.0521 0.8340 0.1577 -0.0720 0.1126 14 TRP B CD1 2570 C CD2 . TRP B 14 ? 1.0812 1.0792 0.8262 0.1543 -0.0702 0.1036 14 TRP B CD2 2571 N NE1 . TRP B 14 ? 1.1065 1.0201 0.7955 0.1366 -0.0693 0.1134 14 TRP B NE1 2572 C CE2 . TRP B 14 ? 1.0907 1.0625 0.8187 0.1356 -0.0684 0.1076 14 TRP B CE2 2573 C CE3 . TRP B 14 ? 1.0403 1.0977 0.8207 0.1518 -0.0702 0.0981 14 TRP B CE3 2574 C CZ2 . TRP B 14 ? 1.0859 1.0878 0.8318 0.1189 -0.0665 0.1053 14 TRP B CZ2 2575 C CZ3 . TRP B 14 ? 1.0506 1.1315 0.8449 0.1324 -0.0692 0.0964 14 TRP B CZ3 2576 C CH2 . TRP B 14 ? 1.0794 1.1319 0.8567 0.1184 -0.0673 0.0995 14 TRP B CH2 2577 N N . GLU B 15 ? 1.1760 1.0530 0.8289 0.2572 -0.0815 0.1015 15 GLU B N 2578 C CA . GLU B 15 ? 1.1608 1.0571 0.8096 0.2951 -0.0858 0.0971 15 GLU B CA 2579 C C . GLU B 15 ? 1.1478 1.1128 0.8132 0.3218 -0.0918 0.0957 15 GLU B C 2580 O O . GLU B 15 ? 1.1270 1.1442 0.8108 0.3447 -0.0926 0.0904 15 GLU B O 2581 C CB . GLU B 15 ? 1.2615 1.0749 0.8449 0.3216 -0.0933 0.1001 15 GLU B CB 2582 C CG . GLU B 15 ? 1.3454 1.1030 0.9147 0.2988 -0.0875 0.0996 15 GLU B CG 2583 C CD . GLU B 15 ? 1.5035 1.1731 1.0020 0.3237 -0.0958 0.1017 15 GLU B CD 2584 O OE1 . GLU B 15 ? 1.5196 1.1889 0.9933 0.3699 -0.1038 0.0988 15 GLU B OE1 2585 O OE2 . GLU B 15 ? 1.5506 1.1510 1.0147 0.2964 -0.0946 0.1060 15 GLU B OE2 2586 N N . GLY B 16 ? 1.2218 1.1911 0.8804 0.3176 -0.0961 0.1006 16 GLY B N 2587 C CA . GLY B 16 ? 1.2257 1.2612 0.8970 0.3403 -0.1027 0.1002 16 GLY B CA 2588 C C . GLY B 16 ? 1.1635 1.2868 0.8931 0.3163 -0.0974 0.0958 16 GLY B C 2589 O O . GLY B 16 ? 1.1428 1.3328 0.8869 0.3308 -0.1026 0.0949 16 GLY B O 2590 N N . MET B 17 ? 1.1310 1.2544 0.8903 0.2789 -0.0880 0.0931 17 MET B N 2591 C CA . MET B 17 ? 1.0755 1.2712 0.8805 0.2562 -0.0842 0.0887 17 MET B CA 2592 C C . MET B 17 ? 1.0525 1.2899 0.8800 0.2629 -0.0811 0.0831 17 MET B C 2593 O O . MET B 17 ? 1.0037 1.2171 0.8409 0.2459 -0.0741 0.0804 17 MET B O 2594 C CB . MET B 17 ? 1.0565 1.2337 0.8786 0.2148 -0.0770 0.0880 17 MET B CB 2595 C CG . MET B 17 ? 1.0377 1.2803 0.8956 0.1922 -0.0756 0.0839 17 MET B CG 2596 S SD . MET B 17 ? 1.0376 1.2681 0.9008 0.1571 -0.0736 0.0842 17 MET B SD 2597 C CE . MET B 17 ? 1.1092 1.2855 0.9740 0.1386 -0.0640 0.0815 17 MET B CE 2598 N N . VAL B 18 ? 1.0826 1.3890 0.9193 0.2866 -0.0863 0.0812 18 VAL B N 2599 C CA . VAL B 18 ? 1.0705 1.4315 0.9291 0.2941 -0.0838 0.0759 18 VAL B CA 2600 C C . VAL B 18 ? 0.9727 1.4080 0.8700 0.2592 -0.0814 0.0736 18 VAL B C 2601 O O . VAL B 18 ? 0.9462 1.4312 0.8645 0.2534 -0.0785 0.0698 18 VAL B O 2602 C CB . VAL B 18 ? 1.1587 1.5626 1.0018 0.3437 -0.0914 0.0746 18 VAL B CB 2603 C CG1 . VAL B 18 ? 1.2172 1.6431 1.0677 0.3600 -0.0877 0.0689 18 VAL B CG1 2604 C CG2 . VAL B 18 ? 1.1854 1.5199 0.9792 0.3789 -0.0988 0.0788 18 VAL B CG2 2605 N N . ASP B 19 ? 1.0048 1.4425 0.9063 0.2348 -0.0831 0.0762 19 ASP B N 2606 C CA . ASP B 19 ? 0.9737 1.4791 0.8988 0.2055 -0.0847 0.0753 19 ASP B CA 2607 C C . ASP B 19 ? 0.8955 1.3816 0.8362 0.1641 -0.0779 0.0724 19 ASP B C 2608 O O . ASP B 19 ? 0.8672 1.4046 0.8241 0.1369 -0.0785 0.0707 19 ASP B O 2609 C CB . ASP B 19 ? 1.0650 1.5596 0.9784 0.1997 -0.0899 0.0792 19 ASP B CB 2610 C CG . ASP B 19 ? 1.1197 1.6971 1.0463 0.1883 -0.0962 0.0796 19 ASP B CG 2611 O OD1 . ASP B 19 ? 1.1586 1.8093 1.1022 0.1885 -0.0971 0.0772 19 ASP B OD1 2612 O OD2 . ASP B 19 ? 1.1118 1.6833 1.0305 0.1780 -0.1003 0.0823 19 ASP B OD2 2613 N N . GLY B 20 ? 0.8279 1.2387 0.7592 0.1594 -0.0722 0.0721 20 GLY B N 2614 C CA . GLY B 20 ? 0.7753 1.1548 0.7146 0.1250 -0.0665 0.0695 20 GLY B CA 2615 C C . GLY B 20 ? 0.8016 1.1073 0.7294 0.1292 -0.0606 0.0694 20 GLY B C 2616 O O . GLY B 20 ? 0.8013 1.0762 0.7123 0.1553 -0.0610 0.0718 20 GLY B O 2617 N N . TRP B 21 ? 0.7769 1.0537 0.7097 0.1033 -0.0558 0.0666 21 TRP B N 2618 C CA . TRP B 21 ? 0.7830 0.9999 0.7071 0.1030 -0.0500 0.0662 21 TRP B CA 2619 C C . TRP B 21 ? 0.7970 0.9781 0.7076 0.0947 -0.0496 0.0680 21 TRP B C 2620 O O . TRP B 21 ? 0.7785 0.9169 0.6765 0.0984 -0.0462 0.0696 21 TRP B O 2621 C CB . TRP B 21 ? 0.8078 1.0170 0.7437 0.0831 -0.0451 0.0616 21 TRP B CB 2622 C CG . TRP B 21 ? 0.7974 1.0268 0.7437 0.0909 -0.0431 0.0599 21 TRP B CG 2623 C CD1 . TRP B 21 ? 0.8171 1.0923 0.7687 0.1082 -0.0461 0.0606 21 TRP B CD1 2624 C CD2 . TRP B 21 ? 0.7417 0.9505 0.6938 0.0829 -0.0378 0.0567 21 TRP B CD2 2625 N NE1 . TRP B 21 ? 0.8033 1.0870 0.7635 0.1110 -0.0426 0.0579 21 TRP B NE1 2626 C CE2 . TRP B 21 ? 0.7521 0.9934 0.7128 0.0946 -0.0375 0.0558 21 TRP B CE2 2627 C CE3 . TRP B 21 ? 0.7765 0.9463 0.7268 0.0687 -0.0334 0.0542 21 TRP B CE3 2628 C CZ2 . TRP B 21 ? 0.7174 0.9496 0.6847 0.0905 -0.0330 0.0529 21 TRP B CZ2 2629 C CZ3 . TRP B 21 ? 0.7895 0.9514 0.7466 0.0655 -0.0293 0.0515 21 TRP B CZ3 2630 C CH2 . TRP B 21 ? 0.7404 0.9312 0.7057 0.0753 -0.0291 0.0511 21 TRP B CH2 2631 N N . TYR B 22 ? 0.7954 0.9957 0.7073 0.0807 -0.0531 0.0675 22 TYR B N 2632 C CA . TYR B 22 ? 0.8151 0.9882 0.7147 0.0724 -0.0528 0.0682 22 TYR B CA 2633 C C . TYR B 22 ? 0.8518 1.0537 0.7468 0.0740 -0.0596 0.0709 22 TYR B C 2634 O O . TYR B 22 ? 0.8698 1.1172 0.7741 0.0720 -0.0642 0.0705 22 TYR B O 2635 C CB . TYR B 22 ? 0.7834 0.9432 0.6851 0.0502 -0.0502 0.0625 22 TYR B CB 2636 C CG . TYR B 22 ? 0.7918 0.9289 0.6991 0.0471 -0.0441 0.0591 22 TYR B CG 2637 C CD1 . TYR B 22 ? 0.8292 0.9339 0.7299 0.0502 -0.0388 0.0593 22 TYR B CD1 2638 C CD2 . TYR B 22 ? 0.7752 0.9257 0.6929 0.0388 -0.0439 0.0558 22 TYR B CD2 2639 C CE1 . TYR B 22 ? 0.8224 0.9108 0.7283 0.0471 -0.0336 0.0560 22 TYR B CE1 2640 C CE2 . TYR B 22 ? 0.7501 0.8788 0.6716 0.0366 -0.0387 0.0526 22 TYR B CE2 2641 C CZ . TYR B 22 ? 0.7579 0.8567 0.6744 0.0418 -0.0336 0.0526 22 TYR B CZ 2642 O OH . TYR B 22 ? 0.6926 0.7742 0.6129 0.0400 -0.0287 0.0495 22 TYR B OH 2643 N N . GLY B 23 ? 0.8643 1.0444 0.7445 0.0755 -0.0604 0.0736 23 GLY B N 2644 C CA . GLY B 23 ? 0.8694 1.0753 0.7439 0.0762 -0.0670 0.0761 23 GLY B CA 2645 C C . GLY B 23 ? 0.8852 1.0630 0.7407 0.0801 -0.0674 0.0800 23 GLY B C 2646 O O . GLY B 23 ? 0.8530 0.9938 0.7003 0.0746 -0.0619 0.0796 23 GLY B O 2647 N N . PHE B 24 ? 0.8910 1.0914 0.7390 0.0893 -0.0743 0.0840 24 PHE B N 2648 C CA . PHE B 24 ? 0.9143 1.0957 0.7435 0.0897 -0.0762 0.0878 24 PHE B CA 2649 C C . PHE B 24 ? 0.9314 1.1116 0.7431 0.1151 -0.0823 0.0951 24 PHE B C 2650 O O . PHE B 24 ? 0.8981 1.1143 0.7157 0.1320 -0.0877 0.0959 24 PHE B O 2651 C CB . PHE B 24 ? 0.9312 1.1397 0.7621 0.0739 -0.0806 0.0853 24 PHE B CB 2652 C CG . PHE B 24 ? 0.9205 1.1308 0.7606 0.0504 -0.0780 0.0776 24 PHE B CG 2653 C CD1 . PHE B 24 ? 0.9135 1.1586 0.7666 0.0405 -0.0812 0.0746 24 PHE B CD1 2654 C CD2 . PHE B 24 ? 0.8977 1.0761 0.7288 0.0386 -0.0734 0.0734 24 PHE B CD2 2655 C CE1 . PHE B 24 ? 0.8929 1.1296 0.7449 0.0179 -0.0806 0.0682 24 PHE B CE1 2656 C CE2 . PHE B 24 ? 0.9064 1.0789 0.7375 0.0213 -0.0728 0.0659 24 PHE B CE2 2657 C CZ . PHE B 24 ? 0.9097 1.1059 0.7488 0.0102 -0.0768 0.0636 24 PHE B CZ 2658 N N . ARG B 25 ? 0.9961 1.1360 0.7831 0.1180 -0.0819 0.1002 25 ARG B N 2659 C CA . ARG B 25 ? 1.0291 1.1603 0.7901 0.1394 -0.0896 0.1076 25 ARG B CA 2660 C C . ARG B 25 ? 1.0666 1.1900 0.8150 0.1260 -0.0905 0.1099 25 ARG B C 2661 O O . ARG B 25 ? 1.0296 1.1368 0.7805 0.1046 -0.0838 0.1070 25 ARG B O 2662 C CB . ARG B 25 ? 1.0426 1.1202 0.7737 0.1556 -0.0897 0.1131 25 ARG B CB 2663 C CG . ARG B 25 ? 1.0729 1.1598 0.8067 0.1806 -0.0924 0.1119 25 ARG B CG 2664 C CD . ARG B 25 ? 1.0967 1.1189 0.7905 0.1966 -0.0941 0.1173 25 ARG B CD 2665 N NE . ARG B 25 ? 1.0729 1.0985 0.7678 0.2201 -0.0954 0.1146 25 ARG B NE 2666 C CZ . ARG B 25 ? 1.1224 1.0893 0.7844 0.2311 -0.0959 0.1171 25 ARG B CZ 2667 N NH1 . ARG B 25 ? 1.1833 1.0862 0.8096 0.2164 -0.0950 0.1229 25 ARG B NH1 2668 N NH2 . ARG B 25 ? 1.1367 1.1088 0.7988 0.2549 -0.0973 0.1137 25 ARG B NH2 2669 N N . TYR B 26 ? 1.0877 1.2259 0.8219 0.1402 -0.0989 0.1146 26 TYR B N 2670 C CA . TYR B 26 ? 1.1169 1.2547 0.8410 0.1272 -0.1003 0.1162 26 TYR B CA 2671 C C . TYR B 26 ? 1.1694 1.2980 0.8637 0.1476 -0.1094 0.1244 26 TYR B C 2672 O O . TYR B 26 ? 1.1893 1.3305 0.8762 0.1750 -0.1167 0.1272 26 TYR B O 2673 C CB . TYR B 26 ? 1.1026 1.2885 0.8514 0.1101 -0.1012 0.1094 26 TYR B CB 2674 C CG . TYR B 26 ? 1.1148 1.3567 0.8807 0.1206 -0.1081 0.1080 26 TYR B CG 2675 C CD1 . TYR B 26 ? 1.0942 1.3594 0.8833 0.1177 -0.1054 0.1030 26 TYR B CD1 2676 C CD2 . TYR B 26 ? 1.1611 1.4386 0.9201 0.1320 -0.1174 0.1116 26 TYR B CD2 2677 C CE1 . TYR B 26 ? 1.1129 1.4388 0.9176 0.1243 -0.1113 0.1018 26 TYR B CE1 2678 C CE2 . TYR B 26 ? 1.1956 1.5365 0.9711 0.1401 -0.1237 0.1102 26 TYR B CE2 2679 C CZ . TYR B 26 ? 1.1831 1.5502 0.9817 0.1353 -0.1205 0.1053 26 TYR B CZ 2680 O OH . TYR B 26 ? 1.1545 1.5932 0.9691 0.1406 -0.1265 0.1041 26 TYR B OH 2681 N N . GLN B 27 ? 1.1622 1.2691 0.8372 0.1355 -0.1090 0.1279 27 GLN B N 2682 C CA . GLN B 27 ? 1.2666 1.3607 0.9095 0.1511 -0.1178 0.1361 27 GLN B CA 2683 C C . GLN B 27 ? 1.2139 1.3362 0.8627 0.1346 -0.1191 0.1343 27 GLN B C 2684 O O . GLN B 27 ? 1.1448 1.2543 0.7946 0.1112 -0.1120 0.1317 27 GLN B O 2685 C CB . GLN B 27 ? 1.3742 1.4002 0.9756 0.1507 -0.1166 0.1441 27 GLN B CB 2686 C CG . GLN B 27 ? 1.5079 1.5079 1.0667 0.1659 -0.1265 0.1537 27 GLN B CG 2687 C CD . GLN B 27 ? 1.5935 1.5175 1.1015 0.1657 -0.1275 0.1627 27 GLN B CD 2688 O OE1 . GLN B 27 ? 1.6711 1.5634 1.1745 0.1608 -0.1225 0.1621 27 GLN B OE1 2689 N NE2 . GLN B 27 ? 1.6539 1.5460 1.1196 0.1691 -0.1346 0.1715 27 GLN B NE2 2690 N N . ASN B 28 ? 1.1878 1.3526 0.8402 0.1474 -0.1282 0.1351 28 ASN B N 2691 C CA . ASN B 28 ? 1.1905 1.3851 0.8486 0.1310 -0.1303 0.1327 28 ASN B CA 2692 C C . ASN B 28 ? 1.2250 1.4334 0.8607 0.1508 -0.1417 0.1399 28 ASN B C 2693 O O . ASN B 28 ? 1.1944 1.3738 0.8017 0.1768 -0.1474 0.1475 28 ASN B O 2694 C CB . ASN B 28 ? 1.1424 1.3876 0.8349 0.1149 -0.1292 0.1234 28 ASN B CB 2695 C CG . ASN B 28 ? 1.1716 1.4710 0.8793 0.1328 -0.1369 0.1234 28 ASN B CG 2696 O OD1 . ASN B 28 ? 1.2666 1.5647 0.9615 0.1630 -0.1423 0.1290 28 ASN B OD1 2697 N ND2 . ASN B 28 ? 1.1358 1.4835 0.8670 0.1143 -0.1379 0.1169 28 ASN B ND2 2698 N N . SER B 29 ? 1.2377 1.4864 0.8814 0.1393 -0.1459 0.1374 29 SER B N 2699 C CA . SER B 29 ? 1.2987 1.5686 0.9236 0.1571 -0.1572 0.1436 29 SER B CA 2700 C C . SER B 29 ? 1.2989 1.6104 0.9275 0.1905 -0.1667 0.1458 29 SER B C 2701 O O . SER B 29 ? 1.3006 1.6151 0.9044 0.2172 -0.1766 0.1525 29 SER B O 2702 C CB . SER B 29 ? 1.3033 1.6118 0.9376 0.1343 -0.1597 0.1393 29 SER B CB 2703 O OG . SER B 29 ? 1.3219 1.6834 0.9870 0.1202 -0.1601 0.1315 29 SER B OG 2704 N N . GLU B 30 ? 1.3101 1.6554 0.9672 0.1914 -0.1640 0.1402 30 GLU B N 2705 C CA . GLU B 30 ? 1.3059 1.6994 0.9675 0.2251 -0.1723 0.1413 30 GLU B CA 2706 C C . GLU B 30 ? 1.2964 1.6451 0.9414 0.2548 -0.1709 0.1438 30 GLU B C 2707 O O . GLU B 30 ? 1.2389 1.6283 0.8911 0.2829 -0.1758 0.1425 30 GLU B O 2708 C CB . GLU B 30 ? 1.2394 1.7119 0.9401 0.2083 -0.1720 0.1339 30 GLU B CB 2709 C CG . GLU B 30 ? 1.2176 1.7183 0.9292 0.1709 -0.1724 0.1303 30 GLU B CG 2710 C CD . GLU B 30 ? 1.1897 1.7776 0.9275 0.1576 -0.1773 0.1258 30 GLU B CD 2711 O OE1 . GLU B 30 ? 1.2062 1.8554 0.9427 0.1781 -0.1873 0.1288 30 GLU B OE1 2712 O OE2 . GLU B 30 ? 1.1648 1.7609 0.9216 0.1265 -0.1717 0.1194 30 GLU B OE2 2713 N N . GLY B 31 ? 1.3233 1.5912 0.9437 0.2482 -0.1649 0.1473 31 GLY B N 2714 C CA . GLY B 31 ? 1.3453 1.5576 0.9400 0.2726 -0.1646 0.1504 31 GLY B CA 2715 C C . GLY B 31 ? 1.3534 1.5490 0.9728 0.2502 -0.1526 0.1446 31 GLY B C 2716 O O . GLY B 31 ? 1.3709 1.5584 1.0071 0.2152 -0.1437 0.1412 31 GLY B O 2717 N N . THR B 32 ? 1.3150 1.5062 0.9346 0.2725 -0.1526 0.1428 32 THR B N 2718 C CA . THR B 32 ? 1.2723 1.4473 0.9136 0.2537 -0.1418 0.1376 32 THR B CA 2719 C C . THR B 32 ? 1.1852 1.4262 0.8636 0.2613 -0.1410 0.1305 32 THR B C 2720 O O . THR B 32 ? 1.1105 1.4035 0.7908 0.2902 -0.1493 0.1303 32 THR B O 2721 C CB . THR B 32 ? 1.3131 1.4052 0.9163 0.2639 -0.1400 0.1420 32 THR B CB 2722 O OG1 . THR B 32 ? 1.3466 1.4350 0.9284 0.3062 -0.1480 0.1430 32 THR B OG1 2723 C CG2 . THR B 32 ? 1.3118 1.3387 0.8708 0.2549 -0.1421 0.1505 32 THR B CG2 2724 N N . GLY B 33 ? 1.1240 1.3650 0.8303 0.2349 -0.1311 0.1247 33 GLY B N 2725 C CA . GLY B 33 ? 1.0776 1.3785 0.8191 0.2331 -0.1291 0.1182 33 GLY B CA 2726 C C . GLY B 33 ? 1.0080 1.2816 0.7660 0.2131 -0.1187 0.1135 33 GLY B C 2727 O O . GLY B 33 ? 0.9335 1.1464 0.6783 0.1988 -0.1125 0.1148 33 GLY B O 2728 N N . GLN B 34 ? 0.9457 1.2696 0.7317 0.2116 -0.1171 0.1082 34 GLN B N 2729 C CA . GLN B 34 ? 0.9274 1.2325 0.7296 0.1965 -0.1082 0.1036 34 GLN B CA 2730 C C . GLN B 34 ? 0.8927 1.2636 0.7279 0.1777 -0.1072 0.0978 34 GLN B C 2731 O O . GLN B 34 ? 0.9033 1.3408 0.7481 0.1899 -0.1134 0.0976 34 GLN B O 2732 C CB . GLN B 34 ? 0.9566 1.2298 0.7425 0.2266 -0.1080 0.1048 34 GLN B CB 2733 C CG . GLN B 34 ? 1.0106 1.2581 0.8104 0.2110 -0.0987 0.1005 34 GLN B CG 2734 C CD . GLN B 34 ? 1.0316 1.2654 0.8199 0.2410 -0.0994 0.1001 34 GLN B CD 2735 O OE1 . GLN B 34 ? 1.0587 1.3420 0.8688 0.2477 -0.0988 0.0957 34 GLN B OE1 2736 N NE2 . GLN B 34 ? 1.0565 1.2218 0.8064 0.2582 -0.1012 0.1046 34 GLN B NE2 2737 N N . ALA B 35 ? 0.8569 1.2107 0.7064 0.1474 -0.0999 0.0934 35 ALA B N 2738 C CA . ALA B 35 ? 0.8465 1.2508 0.7200 0.1261 -0.0992 0.0884 35 ALA B CA 2739 C C . ALA B 35 ? 0.8291 1.1996 0.7119 0.1106 -0.0908 0.0841 35 ALA B C 2740 O O . ALA B 35 ? 0.8426 1.1565 0.7171 0.1024 -0.0853 0.0834 35 ALA B O 2741 C CB . ALA B 35 ? 0.8306 1.2614 0.7059 0.0969 -0.1032 0.0871 35 ALA B CB 2742 N N . ALA B 36 ? 0.8203 1.2304 0.7202 0.1071 -0.0899 0.0813 36 ALA B N 2743 C CA . ALA B 36 ? 0.8145 1.1966 0.7228 0.0905 -0.0829 0.0771 36 ALA B CA 2744 C C . ALA B 36 ? 0.8173 1.1989 0.7266 0.0530 -0.0832 0.0734 36 ALA B C 2745 O O . ALA B 36 ? 0.7621 1.1872 0.6713 0.0372 -0.0895 0.0736 36 ALA B O 2746 C CB . ALA B 36 ? 0.8368 1.2571 0.7592 0.1025 -0.0817 0.0758 36 ALA B CB 2747 N N . ASP B 37 ? 0.8387 1.1687 0.7443 0.0400 -0.0773 0.0698 37 ASP B N 2748 C CA . ASP B 37 ? 0.8792 1.1965 0.7788 0.0082 -0.0780 0.0651 37 ASP B CA 2749 C C . ASP B 37 ? 0.9063 1.2390 0.8161 -0.0029 -0.0761 0.0628 37 ASP B C 2750 O O . ASP B 37 ? 0.8869 1.1930 0.8029 0.0070 -0.0699 0.0614 37 ASP B O 2751 C CB . ASP B 37 ? 0.8785 1.1342 0.7654 0.0044 -0.0732 0.0616 37 ASP B CB 2752 C CG . ASP B 37 ? 0.9051 1.1390 0.7766 -0.0226 -0.0756 0.0560 37 ASP B CG 2753 O OD1 . ASP B 37 ? 0.8868 1.1194 0.7418 -0.0362 -0.0811 0.0549 37 ASP B OD1 2754 O OD2 . ASP B 37 ? 1.0157 1.2287 0.8870 -0.0297 -0.0725 0.0525 37 ASP B OD2 2755 N N . LEU B 38 ? 0.9328 1.3071 0.8414 -0.0270 -0.0817 0.0624 38 LEU B N 2756 C CA . LEU B 38 ? 0.9797 1.3797 0.8968 -0.0405 -0.0808 0.0613 38 LEU B CA 2757 C C . LEU B 38 ? 0.9325 1.2801 0.8342 -0.0637 -0.0791 0.0569 38 LEU B C 2758 O O . LEU B 38 ? 0.8978 1.2450 0.8074 -0.0650 -0.0754 0.0559 38 LEU B O 2759 C CB . LEU B 38 ? 1.0738 1.5496 0.9944 -0.0592 -0.0877 0.0636 38 LEU B CB 2760 C CG . LEU B 38 ? 1.1798 1.7191 1.1182 -0.0279 -0.0892 0.0672 38 LEU B CG 2761 C CD1 . LEU B 38 ? 1.1690 1.7857 1.1075 -0.0460 -0.0975 0.0696 38 LEU B CD1 2762 C CD2 . LEU B 38 ? 1.1639 1.7262 1.1203 -0.0018 -0.0839 0.0671 38 LEU B CD2 2763 N N . LYS B 39 ? 0.9158 1.2184 0.7929 -0.0795 -0.0824 0.0541 39 LYS B N 2764 C CA . LYS B 39 ? 0.9498 1.1966 0.8036 -0.0979 -0.0827 0.0492 39 LYS B CA 2765 C C . LYS B 39 ? 0.8806 1.0899 0.7448 -0.0761 -0.0743 0.0468 39 LYS B C 2766 O O . LYS B 39 ? 0.8202 1.0165 0.6837 -0.0831 -0.0723 0.0451 39 LYS B O 2767 C CB . LYS B 39 ? 1.1179 1.3205 0.9395 -0.1096 -0.0880 0.0456 39 LYS B CB 2768 C CG . LYS B 39 ? 1.3238 1.4622 1.1107 -0.1250 -0.0907 0.0396 39 LYS B CG 2769 C CD . LYS B 39 ? 1.5254 1.6125 1.2835 -0.1192 -0.0930 0.0343 39 LYS B CD 2770 C CE . LYS B 39 ? 1.6191 1.7119 1.3510 -0.1417 -0.1025 0.0347 39 LYS B CE 2771 N NZ . LYS B 39 ? 1.7132 1.7653 1.3979 -0.1750 -0.1122 0.0315 39 LYS B NZ 2772 N N . SER B 40 ? 0.8271 1.0216 0.6995 -0.0516 -0.0696 0.0472 40 SER B N 2773 C CA . SER B 40 ? 0.8526 1.0134 0.7320 -0.0339 -0.0620 0.0451 40 SER B CA 2774 C C . SER B 40 ? 0.8285 1.0127 0.7315 -0.0204 -0.0570 0.0479 40 SER B C 2775 O O . SER B 40 ? 0.8285 0.9901 0.7352 -0.0165 -0.0522 0.0457 40 SER B O 2776 C CB . SER B 40 ? 0.8687 1.0113 0.7465 -0.0167 -0.0588 0.0456 40 SER B CB 2777 O OG . SER B 40 ? 0.8762 1.0473 0.7687 -0.0005 -0.0578 0.0514 40 SER B OG 2778 N N . THR B 41 ? 0.8141 1.0437 0.7306 -0.0110 -0.0585 0.0524 41 THR B N 2779 C CA . THR B 41 ? 0.7977 1.0542 0.7317 0.0026 -0.0553 0.0542 41 THR B CA 2780 C C . THR B 41 ? 0.8039 1.0705 0.7395 -0.0172 -0.0555 0.0519 41 THR B C 2781 O O . THR B 41 ? 0.8764 1.1330 0.8202 -0.0101 -0.0506 0.0507 41 THR B O 2782 C CB . THR B 41 ? 0.8301 1.1424 0.7731 0.0161 -0.0592 0.0582 41 THR B CB 2783 O OG1 . THR B 41 ? 0.8587 1.1545 0.7958 0.0364 -0.0595 0.0611 41 THR B OG1 2784 C CG2 . THR B 41 ? 0.8053 1.1509 0.7630 0.0333 -0.0567 0.0589 41 THR B CG2 2785 N N . GLN B 42 ? 0.8472 1.1315 0.7712 -0.0444 -0.0617 0.0515 42 GLN B N 2786 C CA . GLN B 42 ? 0.8495 1.1432 0.7685 -0.0687 -0.0632 0.0504 42 GLN B CA 2787 C C . GLN B 42 ? 0.8670 1.0955 0.7691 -0.0759 -0.0612 0.0461 42 GLN B C 2788 O O . GLN B 42 ? 0.8311 1.0555 0.7328 -0.0850 -0.0597 0.0452 42 GLN B O 2789 C CB . GLN B 42 ? 0.9017 1.2269 0.8048 -0.1013 -0.0716 0.0519 42 GLN B CB 2790 C CG . GLN B 42 ? 0.9496 1.3023 0.8477 -0.1298 -0.0739 0.0527 42 GLN B CG 2791 C CD . GLN B 42 ? 0.9780 1.3922 0.9063 -0.1121 -0.0688 0.0546 42 GLN B CD 2792 O OE1 . GLN B 42 ? 1.0490 1.4560 0.9819 -0.1131 -0.0648 0.0535 42 GLN B OE1 2793 N NE2 . GLN B 42 ? 0.9257 1.3988 0.8724 -0.0922 -0.0693 0.0569 42 GLN B NE2 2794 N N . ALA B 43 ? 0.8339 1.0144 0.7206 -0.0703 -0.0614 0.0432 43 ALA B N 2795 C CA . ALA B 43 ? 0.8316 0.9555 0.7006 -0.0714 -0.0600 0.0383 43 ALA B CA 2796 C C . ALA B 43 ? 0.8121 0.9319 0.7027 -0.0507 -0.0518 0.0381 43 ALA B C 2797 O O . ALA B 43 ? 0.8757 0.9728 0.7603 -0.0552 -0.0506 0.0356 43 ALA B O 2798 C CB . ALA B 43 ? 0.7923 0.8753 0.6408 -0.0654 -0.0617 0.0345 43 ALA B CB 2799 N N . ALA B 44 ? 0.7434 0.8817 0.6548 -0.0290 -0.0469 0.0408 44 ALA B N 2800 C CA . ALA B 44 ? 0.7464 0.8791 0.6739 -0.0116 -0.0399 0.0410 44 ALA B CA 2801 C C . ALA B 44 ? 0.7588 0.9184 0.6976 -0.0162 -0.0390 0.0419 44 ALA B C 2802 O O . ALA B 44 ? 0.7012 0.8433 0.6415 -0.0164 -0.0357 0.0398 44 ALA B O 2803 C CB . ALA B 44 ? 0.7313 0.8742 0.6694 0.0095 -0.0370 0.0446 44 ALA B CB 2804 N N . ILE B 45 ? 0.7888 0.9964 0.7356 -0.0187 -0.0419 0.0450 45 ILE B N 2805 C CA . ILE B 45 ? 0.7535 0.9983 0.7139 -0.0172 -0.0401 0.0460 45 ILE B CA 2806 C C . ILE B 45 ? 0.7396 0.9751 0.6899 -0.0428 -0.0416 0.0441 45 ILE B C 2807 O O . ILE B 45 ? 0.7257 0.9601 0.6837 -0.0391 -0.0376 0.0432 45 ILE B O 2808 C CB . ILE B 45 ? 0.7940 1.1022 0.7642 -0.0122 -0.0434 0.0491 45 ILE B CB 2809 C CG1 . ILE B 45 ? 0.8027 1.1094 0.7785 0.0199 -0.0418 0.0509 45 ILE B CG1 2810 C CG2 . ILE B 45 ? 0.7808 1.1392 0.7631 -0.0146 -0.0423 0.0493 45 ILE B CG2 2811 C CD1 . ILE B 45 ? 0.8116 1.1759 0.7921 0.0295 -0.0466 0.0537 45 ILE B CD1 2812 N N . ASP B 46 ? 0.7583 0.9807 0.6867 -0.0690 -0.0480 0.0437 46 ASP B N 2813 C CA . ASP B 46 ? 0.7969 0.9975 0.7042 -0.0962 -0.0514 0.0424 46 ASP B CA 2814 C C . ASP B 46 ? 0.8233 0.9723 0.7262 -0.0855 -0.0473 0.0388 46 ASP B C 2815 O O . ASP B 46 ? 0.8757 1.0175 0.7728 -0.0967 -0.0470 0.0384 46 ASP B O 2816 C CB . ASP B 46 ? 0.8783 1.0495 0.7508 -0.1227 -0.0601 0.0417 46 ASP B CB 2817 C CG . ASP B 46 ? 0.9624 1.1876 0.8331 -0.1446 -0.0659 0.0455 46 ASP B CG 2818 O OD1 . ASP B 46 ? 0.9600 1.2517 0.8559 -0.1414 -0.0633 0.0485 46 ASP B OD1 2819 O OD2 . ASP B 46 ? 1.0462 1.2489 0.8885 -0.1639 -0.0733 0.0451 46 ASP B OD2 2820 N N . GLN B 47 ? 0.8316 0.9475 0.7359 -0.0649 -0.0442 0.0363 47 GLN B N 2821 C CA . GLN B 47 ? 0.8448 0.9212 0.7465 -0.0538 -0.0403 0.0328 47 GLN B CA 2822 C C . GLN B 47 ? 0.8090 0.9051 0.7361 -0.0392 -0.0332 0.0339 47 GLN B C 2823 O O . GLN B 47 ? 0.8544 0.9300 0.7792 -0.0387 -0.0310 0.0318 47 GLN B O 2824 C CB . GLN B 47 ? 0.8467 0.8934 0.7431 -0.0376 -0.0389 0.0299 47 GLN B CB 2825 C CG . GLN B 47 ? 0.8681 0.8848 0.7330 -0.0488 -0.0461 0.0270 47 GLN B CG 2826 C CD . GLN B 47 ? 0.8428 0.8388 0.7037 -0.0307 -0.0440 0.0236 47 GLN B CD 2827 O OE1 . GLN B 47 ? 0.7924 0.7988 0.6537 -0.0285 -0.0451 0.0248 47 GLN B OE1 2828 N NE2 . GLN B 47 ? 0.8581 0.8302 0.7158 -0.0174 -0.0408 0.0194 47 GLN B NE2 2829 N N . ILE B 48 ? 0.7697 0.9030 0.7171 -0.0261 -0.0303 0.0368 48 ILE B N 2830 C CA . ILE B 48 ? 0.7362 0.8803 0.7010 -0.0087 -0.0243 0.0373 48 ILE B CA 2831 C C . ILE B 48 ? 0.7940 0.9774 0.7676 -0.0151 -0.0240 0.0384 48 ILE B C 2832 O O . ILE B 48 ? 0.8376 1.0175 0.8182 -0.0080 -0.0197 0.0372 48 ILE B O 2833 C CB . ILE B 48 ? 0.7548 0.9073 0.7278 0.0128 -0.0223 0.0395 48 ILE B CB 2834 C CG1 . ILE B 48 ? 0.7884 0.9033 0.7528 0.0172 -0.0213 0.0385 48 ILE B CG1 2835 C CG2 . ILE B 48 ? 0.7996 0.9580 0.7823 0.0315 -0.0177 0.0399 48 ILE B CG2 2836 C CD1 . ILE B 48 ? 0.8283 0.9461 0.7931 0.0327 -0.0210 0.0417 48 ILE B CD1 2837 N N . ASN B 49 ? 0.8452 1.0705 0.8181 -0.0294 -0.0283 0.0405 49 ASN B N 2838 C CA . ASN B 49 ? 0.9062 1.1753 0.8853 -0.0404 -0.0280 0.0414 49 ASN B CA 2839 C C . ASN B 49 ? 0.9396 1.1784 0.9040 -0.0630 -0.0288 0.0401 49 ASN B C 2840 O O . ASN B 49 ? 0.9043 1.1035 0.8453 -0.0818 -0.0337 0.0395 49 ASN B O 2841 C CB . ASN B 49 ? 0.9675 1.2962 0.9475 -0.0552 -0.0330 0.0442 49 ASN B CB 2842 C CG . ASN B 49 ? 1.0299 1.4063 1.0277 -0.0260 -0.0315 0.0452 49 ASN B CG 2843 O OD1 . ASN B 49 ? 1.0064 1.3822 1.0144 0.0020 -0.0268 0.0438 49 ASN B OD1 2844 N ND2 . ASN B 49 ? 1.0773 1.4922 1.0744 -0.0314 -0.0364 0.0474 49 ASN B ND2 2845 N N . GLY B 50 ? 0.9849 1.2376 0.9592 -0.0585 -0.0245 0.0394 50 GLY B N 2846 C CA . GLY B 50 ? 1.0259 1.2532 0.9852 -0.0795 -0.0254 0.0388 50 GLY B CA 2847 C C . GLY B 50 ? 0.9270 1.0850 0.8705 -0.0761 -0.0258 0.0359 50 GLY B C 2848 O O . GLY B 50 ? 1.0304 1.1550 0.9505 -0.0946 -0.0297 0.0354 50 GLY B O 2849 N N . LYS B 51 ? 0.8426 0.9812 0.7962 -0.0518 -0.0224 0.0341 51 LYS B N 2850 C CA . LYS B 51 ? 0.8109 0.8985 0.7556 -0.0424 -0.0214 0.0309 51 LYS B CA 2851 C C . LYS B 51 ? 0.8043 0.8742 0.7479 -0.0421 -0.0188 0.0291 51 LYS B C 2852 O O . LYS B 51 ? 0.7873 0.8180 0.7113 -0.0468 -0.0218 0.0267 51 LYS B O 2853 C CB . LYS B 51 ? 0.8019 0.8916 0.7632 -0.0186 -0.0166 0.0307 51 LYS B CB 2854 C CG . LYS B 51 ? 0.8281 0.8819 0.7825 -0.0092 -0.0158 0.0281 51 LYS B CG 2855 C CD . LYS B 51 ? 0.8254 0.8913 0.7901 0.0048 -0.0135 0.0301 51 LYS B CD 2856 C CE . LYS B 51 ? 0.8528 0.8950 0.8164 0.0153 -0.0103 0.0284 51 LYS B CE 2857 N NZ . LYS B 51 ? 0.8014 0.8225 0.7498 0.0112 -0.0135 0.0252 51 LYS B NZ 2858 N N . LEU B 52 ? 0.8134 0.9121 0.7758 -0.0337 -0.0137 0.0298 52 LEU B N 2859 C CA . LEU B 52 ? 0.7820 0.8685 0.7455 -0.0325 -0.0107 0.0282 52 LEU B CA 2860 C C . LEU B 52 ? 0.7535 0.8353 0.6982 -0.0572 -0.0152 0.0293 52 LEU B C 2861 O O . LEU B 52 ? 0.7124 0.7616 0.6444 -0.0599 -0.0161 0.0276 52 LEU B O 2862 C CB . LEU B 52 ? 0.8279 0.9451 0.8114 -0.0170 -0.0047 0.0284 52 LEU B CB 2863 C CG . LEU B 52 ? 0.8948 0.9860 0.8826 -0.0028 -0.0002 0.0259 52 LEU B CG 2864 C CD1 . LEU B 52 ? 0.8941 0.9516 0.8765 0.0034 -0.0006 0.0245 52 LEU B CD1 2865 C CD2 . LEU B 52 ? 0.9312 1.0426 0.9308 0.0161 0.0041 0.0258 52 LEU B CD2 2866 N N . ASN B 53 ? 0.7356 0.8477 0.6743 -0.0771 -0.0190 0.0323 53 ASN B N 2867 C CA . ASN B 53 ? 0.7811 0.8849 0.6940 -0.1073 -0.0244 0.0343 53 ASN B CA 2868 C C . ASN B 53 ? 0.7995 0.8371 0.6752 -0.1174 -0.0317 0.0329 53 ASN B C 2869 O O . ASN B 53 ? 0.8418 0.8542 0.6907 -0.1367 -0.0362 0.0340 53 ASN B O 2870 C CB . ASN B 53 ? 0.8459 0.9969 0.7550 -0.1317 -0.0281 0.0383 53 ASN B CB 2871 C CG . ASN B 53 ? 0.8961 1.1187 0.8330 -0.1265 -0.0223 0.0395 53 ASN B CG 2872 O OD1 . ASN B 53 ? 1.1010 1.3674 1.0321 -0.1521 -0.0245 0.0426 53 ASN B OD1 2873 N ND2 . ASN B 53 ? 0.8940 1.1287 0.8572 -0.0939 -0.0153 0.0368 53 ASN B ND2 2874 N N . ARG B 54 ? 0.7976 0.8055 0.6679 -0.1029 -0.0335 0.0302 54 ARG B N 2875 C CA . ARG B 54 ? 0.8349 0.7798 0.6662 -0.1056 -0.0409 0.0275 54 ARG B CA 2876 C C . ARG B 54 ? 0.8500 0.7638 0.6797 -0.0869 -0.0387 0.0238 54 ARG B C 2877 O O . ARG B 54 ? 0.8778 0.7396 0.6724 -0.0844 -0.0453 0.0209 54 ARG B O 2878 C CB . ARG B 54 ? 0.8524 0.7831 0.6790 -0.0937 -0.0431 0.0251 54 ARG B CB 2879 C CG . ARG B 54 ? 0.8370 0.8026 0.6687 -0.1089 -0.0449 0.0286 54 ARG B CG 2880 C CD . ARG B 54 ? 0.8908 0.8357 0.7115 -0.0997 -0.0481 0.0261 54 ARG B CD 2881 N NE . ARG B 54 ? 0.8680 0.8535 0.6969 -0.1144 -0.0497 0.0299 54 ARG B NE 2882 C CZ . ARG B 54 ? 0.8015 0.8250 0.6607 -0.0989 -0.0448 0.0308 54 ARG B CZ 2883 N NH1 . ARG B 54 ? 0.8599 0.8813 0.7409 -0.0713 -0.0383 0.0286 54 ARG B NH1 2884 N NH2 . ARG B 54 ? 0.7958 0.8594 0.6600 -0.1125 -0.0471 0.0343 54 ARG B NH2 2885 N N . VAL B 55 ? 0.8326 0.7767 0.6967 -0.0722 -0.0302 0.0236 55 VAL B N 2886 C CA . VAL B 55 ? 0.8764 0.7983 0.7400 -0.0581 -0.0282 0.0205 55 VAL B CA 2887 C C . VAL B 55 ? 0.9046 0.8405 0.7744 -0.0677 -0.0254 0.0225 55 VAL B C 2888 O O . VAL B 55 ? 1.0547 0.9582 0.9031 -0.0693 -0.0288 0.0213 55 VAL B O 2889 C CB . VAL B 55 ? 0.8623 0.7992 0.7547 -0.0333 -0.0211 0.0180 55 VAL B CB 2890 C CG1 . VAL B 55 ? 0.8974 0.8230 0.7931 -0.0215 -0.0185 0.0152 55 VAL B CG1 2891 C CG2 . VAL B 55 ? 0.8562 0.7765 0.7383 -0.0233 -0.0240 0.0154 55 VAL B CG2 2892 N N . ILE B 56 ? 0.9143 0.8986 0.8115 -0.0709 -0.0195 0.0250 56 ILE B N 2893 C CA . ILE B 56 ? 0.9382 0.9426 0.8413 -0.0797 -0.0165 0.0265 56 ILE B CA 2894 C C . ILE B 56 ? 1.0261 1.0489 0.9119 -0.1102 -0.0210 0.0308 56 ILE B C 2895 O O . ILE B 56 ? 0.9957 1.0510 0.8870 -0.1191 -0.0218 0.0330 56 ILE B O 2896 C CB . ILE B 56 ? 0.9125 0.9583 0.8506 -0.0620 -0.0076 0.0257 56 ILE B CB 2897 C CG1 . ILE B 56 ? 1.1073 1.1953 1.0634 -0.0566 -0.0054 0.0271 56 ILE B CG1 2898 C CG2 . ILE B 56 ? 0.8605 0.8845 0.8092 -0.0391 -0.0038 0.0221 56 ILE B CG2 2899 C CD1 . ILE B 56 ? 1.1342 1.2694 1.0897 -0.0763 -0.0070 0.0304 56 ILE B CD1 2900 N N . GLU B 57 ? 1.1940 1.1966 1.0558 -0.1284 -0.0245 0.0324 57 GLU B N 2901 C CA . GLU B 57 ? 1.4435 1.4697 1.2875 -0.1627 -0.0281 0.0373 57 GLU B CA 2902 C C . GLU B 57 ? 1.3573 1.4587 1.2375 -0.1595 -0.0197 0.0381 57 GLU B C 2903 O O . GLU B 57 ? 1.2193 1.3351 1.1268 -0.1340 -0.0123 0.0350 57 GLU B O 2904 C CB . GLU B 57 ? 1.6077 1.5866 1.4105 -0.1844 -0.0347 0.0394 57 GLU B CB 2905 C CG . GLU B 57 ? 1.7860 1.6905 1.5359 -0.1962 -0.0466 0.0396 57 GLU B CG 2906 C CD . GLU B 57 ? 1.8827 1.7342 1.6266 -0.1629 -0.0480 0.0339 57 GLU B CD 2907 O OE1 . GLU B 57 ? 1.8356 1.7094 1.6164 -0.1343 -0.0412 0.0301 57 GLU B OE1 2908 O OE2 . GLU B 57 ? 1.9735 1.7612 1.6721 -0.1654 -0.0566 0.0332 57 GLU B OE2 2909 N N . ARG B 58 ? 1.3703 1.5208 1.2478 -0.1849 -0.0212 0.0421 58 ARG B N 2910 C CA . ARG B 58 ? 1.3723 1.6010 1.2804 -0.1797 -0.0139 0.0421 58 ARG B CA 2911 C C . ARG B 58 ? 1.2520 1.4765 1.1643 -0.1735 -0.0091 0.0406 58 ARG B C 2912 O O . ARG B 58 ? 1.2379 1.4320 1.1218 -0.1980 -0.0133 0.0433 58 ARG B O 2913 C CB . ARG B 58 ? 1.4972 1.7870 1.3969 -0.2143 -0.0170 0.0470 58 ARG B CB 2914 C CG . ARG B 58 ? 1.6033 1.8951 1.4722 -0.2560 -0.0209 0.0518 58 ARG B CG 2915 C CD . ARG B 58 ? 1.6421 1.8443 1.4595 -0.2820 -0.0315 0.0546 58 ARG B CD 2916 N NE . ARG B 58 ? 1.6391 1.8449 1.4186 -0.3296 -0.0371 0.0607 58 ARG B NE 2917 C CZ . ARG B 58 ? 1.5744 1.8212 1.3345 -0.3713 -0.0421 0.0662 58 ARG B CZ 2918 N NH1 . ARG B 58 ? 1.4889 1.7803 1.2658 -0.3699 -0.0424 0.0661 58 ARG B NH1 2919 N NH2 . ARG B 58 ? 1.6077 1.8521 1.3287 -0.4173 -0.0474 0.0723 58 ARG B NH2 2920 N N . THR B 59 ? 1.1577 1.4017 1.1006 -0.1392 -0.0014 0.0362 59 THR B N 2921 C CA . THR B 59 ? 1.1079 1.3703 1.0623 -0.1287 0.0047 0.0339 59 THR B CA 2922 C C . THR B 59 ? 1.0299 1.3051 0.9646 -0.1613 0.0030 0.0376 59 THR B C 2923 O O . THR B 59 ? 0.8983 1.2229 0.8260 -0.1887 0.0012 0.0415 59 THR B O 2924 C CB . THR B 59 ? 1.0652 1.3953 1.0484 -0.1029 0.0116 0.0308 59 THR B CB 2925 O OG1 . THR B 59 ? 1.0005 1.3150 0.9961 -0.0749 0.0122 0.0283 59 THR B OG1 2926 C CG2 . THR B 59 ? 1.0680 1.4082 1.0608 -0.0851 0.0179 0.0270 59 THR B CG2 2927 N N . ASN B 60 ? 1.0143 1.2487 0.9391 -0.1597 0.0036 0.0366 60 ASN B N 2928 C CA . ASN B 60 ? 1.1029 1.3400 1.0037 -0.1919 0.0011 0.0406 60 ASN B CA 2929 C C . ASN B 60 ? 0.9660 1.2523 0.8851 -0.1831 0.0091 0.0383 60 ASN B C 2930 O O . ASN B 60 ? 0.8786 1.1666 0.8209 -0.1490 0.0153 0.0328 60 ASN B O 2931 C CB . ASN B 60 ? 1.2043 1.3565 1.0690 -0.2029 -0.0064 0.0423 60 ASN B CB 2932 C CG . ASN B 60 ? 1.2809 1.4152 1.1003 -0.2488 -0.0151 0.0492 60 ASN B CG 2933 O OD1 . ASN B 60 ? 1.1976 1.3515 1.0035 -0.2744 -0.0195 0.0530 60 ASN B OD1 2934 N ND2 . ASN B 60 ? 1.3606 1.4564 1.1530 -0.2613 -0.0181 0.0511 60 ASN B ND2 2935 N N . GLU B 61 ? 0.8803 1.2069 0.7854 -0.2155 0.0086 0.0426 61 GLU B N 2936 C CA . GLU B 61 ? 0.8698 1.2428 0.7870 -0.2108 0.0156 0.0406 61 GLU B CA 2937 C C . GLU B 61 ? 0.8741 1.1822 0.7788 -0.2040 0.0151 0.0393 61 GLU B C 2938 O O . GLU B 61 ? 0.9725 1.2166 0.8450 -0.2240 0.0074 0.0432 61 GLU B O 2939 C CB . GLU B 61 ? 0.9418 1.3733 0.8424 -0.2534 0.0144 0.0465 61 GLU B CB 2940 C CG . GLU B 61 ? 1.0158 1.5446 0.9362 -0.2571 0.0175 0.0467 61 GLU B CG 2941 C CD . GLU B 61 ? 1.1141 1.7140 1.0199 -0.3006 0.0176 0.0522 61 GLU B CD 2942 O OE1 . GLU B 61 ? 1.2530 1.8240 1.1210 -0.3483 0.0093 0.0600 61 GLU B OE1 2943 O OE2 . GLU B 61 ? 1.0786 1.7617 1.0061 -0.2884 0.0256 0.0488 61 GLU B OE2 2944 N N . LYS B 62 ? 0.8207 1.1432 0.7474 -0.1741 0.0225 0.0335 62 LYS B N 2945 C CA . LYS B 62 ? 0.7790 1.0561 0.6953 -0.1706 0.0227 0.0323 62 LYS B CA 2946 C C . LYS B 62 ? 0.7261 1.0572 0.6559 -0.1622 0.0306 0.0290 62 LYS B C 2947 O O . LYS B 62 ? 0.7240 1.1020 0.6777 -0.1351 0.0371 0.0236 62 LYS B O 2948 C CB . LYS B 62 ? 0.8047 1.0245 0.7297 -0.1400 0.0223 0.0278 62 LYS B CB 2949 C CG . LYS B 62 ? 0.9350 1.0935 0.8376 -0.1511 0.0135 0.0311 62 LYS B CG 2950 C CD . LYS B 62 ? 1.0000 1.1119 0.9118 -0.1224 0.0132 0.0268 62 LYS B CD 2951 C CE . LYS B 62 ? 1.1117 1.1736 1.0017 -0.1296 0.0046 0.0291 62 LYS B CE 2952 N NZ . LYS B 62 ? 1.1961 1.2158 1.0451 -0.1556 -0.0037 0.0337 62 LYS B NZ 2953 N N . PHE B 63 ? 0.7211 1.0413 0.6312 -0.1842 0.0295 0.0320 63 PHE B N 2954 C CA . PHE B 63 ? 0.7182 1.0978 0.6359 -0.1846 0.0365 0.0300 63 PHE B CA 2955 C C . PHE B 63 ? 0.6718 1.0148 0.5915 -0.1635 0.0395 0.0253 63 PHE B C 2956 O O . PHE B 63 ? 0.6792 0.9988 0.6151 -0.1300 0.0419 0.0193 63 PHE B O 2957 C CB . PHE B 63 ? 0.7872 1.1943 0.6787 -0.2321 0.0330 0.0380 63 PHE B CB 2958 C CG . PHE B 63 ? 0.8223 1.2684 0.7094 -0.2569 0.0295 0.0428 63 PHE B CG 2959 C CD1 . PHE B 63 ? 0.8129 1.3337 0.7303 -0.2361 0.0351 0.0386 63 PHE B CD1 2960 C CD2 . PHE B 63 ? 0.9068 1.3141 0.7548 -0.3013 0.0199 0.0515 63 PHE B CD2 2961 C CE1 . PHE B 63 ? 0.8262 1.3901 0.7403 -0.2601 0.0317 0.0431 63 PHE B CE1 2962 C CE2 . PHE B 63 ? 0.9466 1.3909 0.7874 -0.3283 0.0162 0.0561 63 PHE B CE2 2963 C CZ . PHE B 63 ? 0.9170 1.4436 0.7935 -0.3082 0.0224 0.0520 63 PHE B CZ 2964 N N . HIS B 64 ? 0.6846 1.0209 0.5857 -0.1842 0.0390 0.0281 64 HIS B N 2965 C CA . HIS B 64 ? 0.6715 0.9758 0.5740 -0.1651 0.0416 0.0236 64 HIS B CA 2966 C C . HIS B 64 ? 0.6845 0.9077 0.5787 -0.1551 0.0352 0.0236 64 HIS B C 2967 O O . HIS B 64 ? 0.7382 0.9224 0.6122 -0.1732 0.0273 0.0290 64 HIS B O 2968 C CB . HIS B 64 ? 0.7242 1.0391 0.6061 -0.1913 0.0418 0.0273 64 HIS B CB 2969 C CG . HIS B 64 ? 0.7835 1.0829 0.6707 -0.1697 0.0460 0.0216 64 HIS B CG 2970 N ND1 . HIS B 64 ? 0.7581 1.0948 0.6685 -0.1370 0.0544 0.0129 64 HIS B ND1 2971 C CD2 . HIS B 64 ? 0.8439 1.0905 0.7133 -0.1745 0.0423 0.0229 64 HIS B CD2 2972 C CE1 . HIS B 64 ? 0.7811 1.0891 0.6873 -0.1260 0.0558 0.0093 64 HIS B CE1 2973 N NE2 . HIS B 64 ? 0.8350 1.0920 0.7190 -0.1484 0.0488 0.0154 64 HIS B NE2 2974 N N . GLN B 65 ? 0.6887 0.8892 0.5963 -0.1257 0.0383 0.0173 65 GLN B N 2975 C CA . GLN B 65 ? 0.6975 0.8353 0.6014 -0.1137 0.0331 0.0164 65 GLN B CA 2976 C C . GLN B 65 ? 0.7109 0.8277 0.6145 -0.1008 0.0351 0.0123 65 GLN B C 2977 O O . GLN B 65 ? 0.8316 0.9593 0.7245 -0.1129 0.0363 0.0135 65 GLN B O 2978 C CB . GLN B 65 ? 0.7131 0.8498 0.6365 -0.0913 0.0345 0.0129 65 GLN B CB 2979 C CG . GLN B 65 ? 0.7816 0.9349 0.7044 -0.1039 0.0316 0.0170 65 GLN B CG 2980 C CD . GLN B 65 ? 0.7954 0.9660 0.7396 -0.0809 0.0348 0.0133 65 GLN B CD 2981 O OE1 . GLN B 65 ? 0.9013 1.1239 0.8564 -0.0776 0.0386 0.0124 65 GLN B OE1 2982 N NE2 . GLN B 65 ? 0.8003 0.9305 0.7484 -0.0654 0.0327 0.0112 65 GLN B NE2 2983 N N . ILE B 66 ? 0.6940 0.7813 0.6070 -0.0795 0.0349 0.0081 66 ILE B N 2984 C CA . ILE B 66 ? 0.6619 0.7350 0.5765 -0.0665 0.0373 0.0033 66 ILE B CA 2985 C C . ILE B 66 ? 0.6464 0.7410 0.5758 -0.0443 0.0442 -0.0033 66 ILE B C 2986 O O . ILE B 66 ? 0.6882 0.7947 0.6276 -0.0337 0.0456 -0.0045 66 ILE B O 2987 C CB . ILE B 66 ? 0.6418 0.6695 0.5525 -0.0595 0.0318 0.0027 66 ILE B CB 2988 C CG1 . ILE B 66 ? 0.6711 0.6899 0.5941 -0.0464 0.0313 0.0011 66 ILE B CG1 2989 C CG2 . ILE B 66 ? 0.6703 0.6680 0.5590 -0.0743 0.0234 0.0082 66 ILE B CG2 2990 C CD1 . ILE B 66 ? 0.7076 0.6967 0.6293 -0.0387 0.0273 -0.0004 66 ILE B CD1 2991 N N . GLU B 67 ? 0.6413 0.7344 0.5672 -0.0365 0.0475 -0.0079 67 GLU B N 2992 C CA . GLU B 67 ? 0.6793 0.7756 0.6078 -0.0139 0.0523 -0.0151 67 GLU B CA 2993 C C . GLU B 67 ? 0.6762 0.7335 0.6055 -0.0050 0.0493 -0.0166 67 GLU B C 2994 O O . GLU B 67 ? 0.7024 0.7348 0.6306 -0.0144 0.0447 -0.0137 67 GLU B O 2995 C CB . GLU B 67 ? 0.6801 0.7762 0.5987 -0.0110 0.0553 -0.0195 67 GLU B CB 2996 C CG . GLU B 67 ? 0.6752 0.8141 0.5909 -0.0213 0.0589 -0.0184 67 GLU B CG 2997 C CD . GLU B 67 ? 0.7467 0.9405 0.6698 -0.0120 0.0639 -0.0202 67 GLU B CD 2998 O OE1 . GLU B 67 ? 0.7854 0.9833 0.7111 0.0127 0.0662 -0.0257 67 GLU B OE1 2999 O OE2 . GLU B 67 ? 0.8820 1.1180 0.8055 -0.0303 0.0652 -0.0160 67 GLU B OE2 3000 N N . LYS B 68 ? 0.7318 0.7849 0.6596 0.0138 0.0517 -0.0212 68 LYS B N 3001 C CA . LYS B 68 ? 0.7050 0.7221 0.6295 0.0192 0.0490 -0.0221 68 LYS B CA 3002 C C . LYS B 68 ? 0.7350 0.7245 0.6407 0.0337 0.0502 -0.0285 68 LYS B C 3003 O O . LYS B 68 ? 0.8248 0.7839 0.7227 0.0348 0.0477 -0.0288 68 LYS B O 3004 C CB . LYS B 68 ? 0.7074 0.7336 0.6413 0.0241 0.0481 -0.0195 68 LYS B CB 3005 C CG . LYS B 68 ? 0.6744 0.7135 0.6195 0.0070 0.0450 -0.0131 68 LYS B CG 3006 C CD . LYS B 68 ? 0.6981 0.7595 0.6519 0.0101 0.0452 -0.0108 68 LYS B CD 3007 C CE . LYS B 68 ? 0.7102 0.7757 0.6670 -0.0091 0.0410 -0.0047 68 LYS B CE 3008 N NZ . LYS B 68 ? 0.6659 0.7468 0.6299 -0.0087 0.0400 -0.0022 68 LYS B NZ 3009 N N . GLU B 69 ? 0.7651 0.7637 0.6595 0.0441 0.0537 -0.0336 69 GLU B N 3010 C CA . GLU B 69 ? 0.7869 0.7523 0.6547 0.0588 0.0540 -0.0405 69 GLU B CA 3011 C C . GLU B 69 ? 0.8092 0.7811 0.6706 0.0541 0.0560 -0.0434 69 GLU B C 3012 O O . GLU B 69 ? 0.7161 0.7283 0.5892 0.0519 0.0592 -0.0424 69 GLU B O 3013 C CB . GLU B 69 ? 0.8578 0.8308 0.7123 0.0870 0.0562 -0.0457 69 GLU B CB 3014 C CG . GLU B 69 ? 0.9874 0.9522 0.8445 0.0945 0.0539 -0.0431 69 GLU B CG 3015 C CD . GLU B 69 ? 1.0729 1.0609 0.9221 0.1245 0.0558 -0.0475 69 GLU B CD 3016 O OE1 . GLU B 69 ? 1.0907 1.1323 0.9516 0.1322 0.0599 -0.0492 69 GLU B OE1 3017 O OE2 . GLU B 69 ? 1.2192 1.1744 1.0488 0.1404 0.0527 -0.0490 69 GLU B OE2 3018 N N . PHE B 70 ? 0.8515 0.7844 0.6923 0.0503 0.0538 -0.0467 70 PHE B N 3019 C CA . PHE B 70 ? 0.8384 0.7726 0.6730 0.0424 0.0547 -0.0489 70 PHE B CA 3020 C C . PHE B 70 ? 0.8941 0.7919 0.6936 0.0559 0.0547 -0.0571 70 PHE B C 3021 O O . PHE B 70 ? 0.9317 0.7859 0.7077 0.0587 0.0513 -0.0592 70 PHE B O 3022 C CB . PHE B 70 ? 0.8071 0.7319 0.6515 0.0188 0.0506 -0.0438 70 PHE B CB 3023 C CG . PHE B 70 ? 0.7734 0.7241 0.6439 0.0081 0.0492 -0.0364 70 PHE B CG 3024 C CD1 . PHE B 70 ? 0.7282 0.7059 0.6087 -0.0005 0.0500 -0.0331 70 PHE B CD1 3025 C CD2 . PHE B 70 ? 0.7207 0.6651 0.6007 0.0063 0.0466 -0.0328 70 PHE B CD2 3026 C CE1 . PHE B 70 ? 0.7223 0.7133 0.6173 -0.0107 0.0473 -0.0264 70 PHE B CE1 3027 C CE2 . PHE B 70 ? 0.6723 0.6350 0.5707 -0.0017 0.0446 -0.0268 70 PHE B CE2 3028 C CZ . PHE B 70 ? 0.7022 0.6849 0.6059 -0.0101 0.0445 -0.0236 70 PHE B CZ 3029 N N . SER B 71 ? 0.9701 0.8836 0.7618 0.0632 0.0581 -0.0618 71 SER B N 3030 C CA . SER B 71 ? 0.9971 0.8763 0.7509 0.0802 0.0581 -0.0708 71 SER B CA 3031 C C . SER B 71 ? 1.0438 0.8960 0.7837 0.0610 0.0555 -0.0718 71 SER B C 3032 O O . SER B 71 ? 1.1242 0.9354 0.8265 0.0690 0.0538 -0.0790 71 SER B O 3033 C CB . SER B 71 ? 1.0046 0.9246 0.7565 0.1046 0.0640 -0.0767 71 SER B CB 3034 O OG . SER B 71 ? 1.0424 0.9906 0.8037 0.0923 0.0669 -0.0764 71 SER B OG 3035 N N . GLU B 72 ? 1.0456 0.9186 0.8116 0.0370 0.0544 -0.0651 72 GLU B N 3036 C CA . GLU B 72 ? 1.1337 0.9867 0.8882 0.0188 0.0511 -0.0656 72 GLU B CA 3037 C C . GLU B 72 ? 1.0483 0.9038 0.8220 -0.0037 0.0464 -0.0583 72 GLU B C 3038 O O . GLU B 72 ? 0.9996 0.8793 0.7998 -0.0063 0.0463 -0.0522 72 GLU B O 3039 C CB . GLU B 72 ? 1.2704 1.1503 1.0288 0.0171 0.0543 -0.0670 72 GLU B CB 3040 C CG . GLU B 72 ? 1.3236 1.2555 1.1086 0.0201 0.0590 -0.0630 72 GLU B CG 3041 C CD . GLU B 72 ? 1.4079 1.3630 1.1822 0.0431 0.0652 -0.0698 72 GLU B CD 3042 O OE1 . GLU B 72 ? 1.3816 1.3074 1.1248 0.0615 0.0656 -0.0787 72 GLU B OE1 3043 O OE2 . GLU B 72 ? 1.3142 1.3180 1.1080 0.0428 0.0692 -0.0665 72 GLU B OE2 3044 N N . VAL B 73 ? 1.0558 0.8884 0.8136 -0.0196 0.0421 -0.0593 73 VAL B N 3045 C CA . VAL B 73 ? 1.0768 0.9218 0.8519 -0.0392 0.0375 -0.0533 73 VAL B CA 3046 C C . VAL B 73 ? 0.9327 0.8103 0.7276 -0.0444 0.0372 -0.0498 73 VAL B C 3047 O O . VAL B 73 ? 0.9344 0.8132 0.7196 -0.0425 0.0391 -0.0529 73 VAL B O 3048 C CB . VAL B 73 ? 1.1476 0.9619 0.8961 -0.0569 0.0325 -0.0554 73 VAL B CB 3049 C CG1 . VAL B 73 ? 1.1674 0.9837 0.9051 -0.0690 0.0304 -0.0577 73 VAL B CG1 3050 C CG2 . VAL B 73 ? 1.2772 1.1054 1.0415 -0.0711 0.0286 -0.0498 73 VAL B CG2 3051 N N . GLU B 74 ? 0.8901 0.7907 0.7087 -0.0490 0.0345 -0.0435 74 GLU B N 3052 C CA . GLU B 74 ? 0.8222 0.7451 0.6526 -0.0518 0.0327 -0.0394 74 GLU B CA 3053 C C . GLU B 74 ? 0.8102 0.7456 0.6504 -0.0591 0.0260 -0.0352 74 GLU B C 3054 O O . GLU B 74 ? 0.8549 0.8007 0.6950 -0.0613 0.0224 -0.0330 74 GLU B O 3055 C CB . GLU B 74 ? 0.8022 0.7402 0.6457 -0.0445 0.0355 -0.0355 74 GLU B CB 3056 C CG . GLU B 74 ? 0.8295 0.7709 0.6678 -0.0343 0.0423 -0.0392 74 GLU B CG 3057 C CD . GLU B 74 ? 0.8716 0.8347 0.7243 -0.0315 0.0444 -0.0345 74 GLU B CD 3058 O OE1 . GLU B 74 ? 0.9122 0.8745 0.7750 -0.0279 0.0437 -0.0325 74 GLU B OE1 3059 O OE2 . GLU B 74 ? 0.8719 0.8537 0.7239 -0.0354 0.0464 -0.0326 74 GLU B OE2 3060 N N . GLY B 75 ? 0.8106 0.7469 0.6574 -0.0608 0.0241 -0.0342 75 GLY B N 3061 C CA . GLY B 75 ? 0.7831 0.7394 0.6392 -0.0643 0.0180 -0.0312 75 GLY B CA 3062 C C . GLY B 75 ? 0.7502 0.7159 0.6197 -0.0541 0.0158 -0.0265 75 GLY B C 3063 O O . GLY B 75 ? 0.8077 0.7669 0.6839 -0.0489 0.0188 -0.0251 75 GLY B O 3064 N N . ARG B 76 ? 0.7980 0.7761 0.6671 -0.0502 0.0097 -0.0242 76 ARG B N 3065 C CA . ARG B 76 ? 0.7770 0.7599 0.6506 -0.0392 0.0047 -0.0204 76 ARG B CA 3066 C C . ARG B 76 ? 0.7561 0.7238 0.6327 -0.0353 0.0074 -0.0175 76 ARG B C 3067 O O . ARG B 76 ? 0.8167 0.7866 0.7003 -0.0296 0.0061 -0.0162 76 ARG B O 3068 C CB . ARG B 76 ? 0.7889 0.7726 0.6502 -0.0325 -0.0024 -0.0185 76 ARG B CB 3069 C CG . ARG B 76 ? 0.8115 0.8002 0.6696 -0.0173 -0.0101 -0.0164 76 ARG B CG 3070 C CD . ARG B 76 ? 0.8171 0.8033 0.6564 -0.0071 -0.0188 -0.0152 76 ARG B CD 3071 N NE . ARG B 76 ? 0.7864 0.7719 0.6156 0.0130 -0.0273 -0.0141 76 ARG B NE 3072 C CZ . ARG B 76 ? 0.8077 0.7955 0.6180 0.0296 -0.0369 -0.0141 76 ARG B CZ 3073 N NH1 . ARG B 76 ? 0.7971 0.7907 0.5999 0.0258 -0.0388 -0.0145 76 ARG B NH1 3074 N NH2 . ARG B 76 ? 0.8260 0.8099 0.6226 0.0524 -0.0451 -0.0142 76 ARG B NH2 3075 N N . ILE B 77 ? 0.7779 0.7343 0.6485 -0.0393 0.0111 -0.0165 77 ILE B N 3076 C CA . ILE B 77 ? 0.7701 0.7185 0.6407 -0.0391 0.0126 -0.0129 77 ILE B CA 3077 C C . ILE B 77 ? 0.7630 0.7158 0.6466 -0.0381 0.0189 -0.0148 77 ILE B C 3078 O O . ILE B 77 ? 0.8019 0.7536 0.6906 -0.0358 0.0187 -0.0123 77 ILE B O 3079 C CB . ILE B 77 ? 0.8138 0.7582 0.6728 -0.0469 0.0147 -0.0107 77 ILE B CB 3080 C CG1 . ILE B 77 ? 0.9424 0.8780 0.7838 -0.0486 0.0084 -0.0089 77 ILE B CG1 3081 C CG2 . ILE B 77 ? 0.8153 0.7550 0.6701 -0.0516 0.0144 -0.0059 77 ILE B CG2 3082 C CD1 . ILE B 77 ? 1.0149 0.9336 0.8415 -0.0416 -0.0014 -0.0048 77 ILE B CD1 3083 N N . GLN B 78 ? 0.7747 0.7286 0.6593 -0.0393 0.0238 -0.0194 78 GLN B N 3084 C CA . GLN B 78 ? 0.7826 0.7341 0.6729 -0.0355 0.0286 -0.0216 78 GLN B CA 3085 C C . GLN B 78 ? 0.7820 0.7332 0.6793 -0.0348 0.0258 -0.0209 78 GLN B C 3086 O O . GLN B 78 ? 0.7604 0.7107 0.6645 -0.0307 0.0274 -0.0199 78 GLN B O 3087 C CB . GLN B 78 ? 0.8225 0.7647 0.7017 -0.0351 0.0327 -0.0271 78 GLN B CB 3088 C CG . GLN B 78 ? 0.8317 0.7663 0.7088 -0.0262 0.0373 -0.0297 78 GLN B CG 3089 C CD . GLN B 78 ? 0.7930 0.7086 0.6495 -0.0229 0.0398 -0.0360 78 GLN B CD 3090 O OE1 . GLN B 78 ? 0.7760 0.6962 0.6250 -0.0202 0.0424 -0.0387 78 GLN B OE1 3091 N NE2 . GLN B 78 ? 0.7712 0.6624 0.6140 -0.0241 0.0385 -0.0383 78 GLN B NE2 3092 N N . ASP B 79 ? 0.7837 0.7408 0.6793 -0.0391 0.0215 -0.0215 79 ASP B N 3093 C CA . ASP B 79 ? 0.7724 0.7395 0.6750 -0.0395 0.0186 -0.0207 79 ASP B CA 3094 C C . ASP B 79 ? 0.7311 0.7015 0.6421 -0.0305 0.0163 -0.0172 79 ASP B C 3095 O O . ASP B 79 ? 0.7259 0.6988 0.6439 -0.0289 0.0170 -0.0166 79 ASP B O 3096 C CB . ASP B 79 ? 0.8137 0.7999 0.7142 -0.0436 0.0135 -0.0216 79 ASP B CB 3097 C CG . ASP B 79 ? 0.9078 0.8913 0.7971 -0.0571 0.0147 -0.0249 79 ASP B CG 3098 O OD1 . ASP B 79 ? 0.9363 0.8968 0.8152 -0.0625 0.0189 -0.0272 79 ASP B OD1 3099 O OD2 . ASP B 79 ? 1.0245 1.0285 0.9119 -0.0615 0.0104 -0.0256 79 ASP B OD2 3100 N N . LEU B 80 ? 0.7081 0.6746 0.6139 -0.0261 0.0130 -0.0148 80 LEU B N 3101 C CA . LEU B 80 ? 0.7002 0.6615 0.6052 -0.0188 0.0091 -0.0116 80 LEU B CA 3102 C C . LEU B 80 ? 0.7131 0.6674 0.6231 -0.0210 0.0135 -0.0098 80 LEU B C 3103 O O . LEU B 80 ? 0.7090 0.6623 0.6233 -0.0168 0.0122 -0.0084 80 LEU B O 3104 C CB . LEU B 80 ? 0.7164 0.6657 0.6043 -0.0155 0.0026 -0.0093 80 LEU B CB 3105 C CG . LEU B 80 ? 0.7351 0.6679 0.6102 -0.0072 -0.0039 -0.0063 80 LEU B CG 3106 C CD1 . LEU B 80 ? 0.7263 0.6723 0.6078 0.0054 -0.0072 -0.0083 80 LEU B CD1 3107 C CD2 . LEU B 80 ? 0.7334 0.6453 0.5821 -0.0042 -0.0116 -0.0040 80 LEU B CD2 3108 N N . GLU B 81 ? 0.7319 0.6855 0.6409 -0.0263 0.0186 -0.0103 81 GLU B N 3109 C CA . GLU B 81 ? 0.7441 0.7016 0.6589 -0.0269 0.0231 -0.0092 81 GLU B CA 3110 C C . GLU B 81 ? 0.7294 0.6885 0.6541 -0.0216 0.0259 -0.0112 81 GLU B C 3111 O O . GLU B 81 ? 0.7042 0.6656 0.6347 -0.0192 0.0263 -0.0093 81 GLU B O 3112 C CB . GLU B 81 ? 0.7734 0.7393 0.6851 -0.0300 0.0285 -0.0107 81 GLU B CB 3113 C CG . GLU B 81 ? 0.8456 0.8118 0.7452 -0.0395 0.0261 -0.0072 81 GLU B CG 3114 C CD . GLU B 81 ? 0.8552 0.8313 0.7497 -0.0423 0.0307 -0.0099 81 GLU B CD 3115 O OE1 . GLU B 81 ? 0.9022 0.8751 0.7973 -0.0367 0.0331 -0.0147 81 GLU B OE1 3116 O OE2 . GLU B 81 ? 0.8095 0.7963 0.6964 -0.0519 0.0315 -0.0070 81 GLU B OE2 3117 N N . LYS B 82 ? 0.6884 0.6437 0.6111 -0.0219 0.0272 -0.0146 82 LYS B N 3118 C CA . LYS B 82 ? 0.7060 0.6557 0.6303 -0.0201 0.0289 -0.0159 82 LYS B CA 3119 C C . LYS B 82 ? 0.7118 0.6678 0.6440 -0.0197 0.0254 -0.0136 82 LYS B C 3120 O O . LYS B 82 ? 0.7745 0.7288 0.7112 -0.0166 0.0266 -0.0125 82 LYS B O 3121 C CB . LYS B 82 ? 0.7577 0.6966 0.6702 -0.0260 0.0294 -0.0194 82 LYS B CB 3122 C CG . LYS B 82 ? 0.8538 0.7782 0.7528 -0.0217 0.0335 -0.0231 82 LYS B CG 3123 C CD . LYS B 82 ? 0.9743 0.8782 0.8534 -0.0300 0.0326 -0.0265 82 LYS B CD 3124 C CE . LYS B 82 ? 1.0486 0.9313 0.9071 -0.0224 0.0357 -0.0314 82 LYS B CE 3125 N NZ . LYS B 82 ? 1.1338 0.9929 0.9680 -0.0345 0.0334 -0.0346 82 LYS B NZ 3126 N N . TYR B 83 ? 0.6848 0.6499 0.6171 -0.0207 0.0208 -0.0131 83 TYR B N 3127 C CA . TYR B 83 ? 0.6455 0.6221 0.5833 -0.0171 0.0172 -0.0121 83 TYR B CA 3128 C C . TYR B 83 ? 0.6752 0.6461 0.6151 -0.0099 0.0154 -0.0095 83 TYR B C 3129 O O . TYR B 83 ? 0.6834 0.6590 0.6286 -0.0065 0.0148 -0.0088 83 TYR B O 3130 C CB . TYR B 83 ? 0.6235 0.6156 0.5581 -0.0147 0.0121 -0.0132 83 TYR B CB 3131 C CG . TYR B 83 ? 0.6358 0.6495 0.5746 -0.0080 0.0082 -0.0135 83 TYR B CG 3132 C CD1 . TYR B 83 ? 0.6259 0.6610 0.5697 -0.0168 0.0098 -0.0146 83 TYR B CD1 3133 C CD2 . TYR B 83 ? 0.6488 0.6618 0.5820 0.0070 0.0024 -0.0130 83 TYR B CD2 3134 C CE1 . TYR B 83 ? 0.6107 0.6759 0.5592 -0.0104 0.0067 -0.0153 83 TYR B CE1 3135 C CE2 . TYR B 83 ? 0.6109 0.6482 0.5458 0.0178 -0.0013 -0.0146 83 TYR B CE2 3136 C CZ . TYR B 83 ? 0.6160 0.6848 0.5614 0.0094 0.0013 -0.0158 83 TYR B CZ 3137 O OH . TYR B 83 ? 0.5696 0.6723 0.5178 0.0201 -0.0018 -0.0177 83 TYR B OH 3138 N N . VAL B 84 ? 0.6709 0.6314 0.6039 -0.0099 0.0142 -0.0077 84 VAL B N 3139 C CA . VAL B 84 ? 0.6362 0.5877 0.5652 -0.0083 0.0118 -0.0048 84 VAL B CA 3140 C C . VAL B 84 ? 0.6508 0.6072 0.5906 -0.0098 0.0169 -0.0042 84 VAL B C 3141 O O . VAL B 84 ? 0.6726 0.6282 0.6150 -0.0068 0.0154 -0.0029 84 VAL B O 3142 C CB . VAL B 84 ? 0.6594 0.5985 0.5736 -0.0145 0.0094 -0.0022 84 VAL B CB 3143 C CG1 . VAL B 84 ? 0.6266 0.5579 0.5341 -0.0204 0.0081 0.0013 84 VAL B CG1 3144 C CG2 . VAL B 84 ? 0.6947 0.6208 0.5913 -0.0091 0.0019 -0.0021 84 VAL B CG2 3145 N N . GLU B 85 ? 0.6560 0.6169 0.5997 -0.0120 0.0225 -0.0056 85 GLU B N 3146 C CA . GLU B 85 ? 0.6799 0.6458 0.6303 -0.0090 0.0262 -0.0053 85 GLU B CA 3147 C C . GLU B 85 ? 0.6862 0.6487 0.6409 -0.0054 0.0262 -0.0059 85 GLU B C 3148 O O . GLU B 85 ? 0.7770 0.7416 0.7363 -0.0025 0.0265 -0.0044 85 GLU B O 3149 C CB . GLU B 85 ? 0.6703 0.6416 0.6190 -0.0064 0.0314 -0.0077 85 GLU B CB 3150 C CG . GLU B 85 ? 0.7628 0.7441 0.7158 0.0010 0.0345 -0.0077 85 GLU B CG 3151 C CD . GLU B 85 ? 0.7760 0.7750 0.7344 -0.0038 0.0332 -0.0039 85 GLU B CD 3152 O OE1 . GLU B 85 ? 0.8091 0.8069 0.7628 -0.0145 0.0299 -0.0012 85 GLU B OE1 3153 O OE2 . GLU B 85 ? 0.8013 0.8138 0.7649 0.0021 0.0349 -0.0035 85 GLU B OE2 3154 N N . ASP B 86 ? 0.6867 0.6460 0.6381 -0.0081 0.0257 -0.0078 86 ASP B N 3155 C CA . ASP B 86 ? 0.6781 0.6367 0.6298 -0.0100 0.0255 -0.0079 86 ASP B CA 3156 C C . ASP B 86 ? 0.6671 0.6365 0.6256 -0.0069 0.0222 -0.0062 86 ASP B C 3157 O O . ASP B 86 ? 0.6587 0.6290 0.6202 -0.0059 0.0226 -0.0050 86 ASP B O 3158 C CB . ASP B 86 ? 0.7858 0.7461 0.7307 -0.0183 0.0248 -0.0098 86 ASP B CB 3159 C CG . ASP B 86 ? 0.9746 0.9185 0.9065 -0.0255 0.0267 -0.0107 86 ASP B CG 3160 O OD1 . ASP B 86 ? 0.9851 0.9091 0.9066 -0.0208 0.0292 -0.0122 86 ASP B OD1 3161 O OD2 . ASP B 86 ? 1.0905 1.0417 1.0189 -0.0356 0.0252 -0.0100 86 ASP B OD2 3162 N N . THR B 87 ? 0.6728 0.6482 0.6301 -0.0038 0.0182 -0.0064 87 THR B N 3163 C CA . THR B 87 ? 0.7157 0.6971 0.6732 0.0035 0.0139 -0.0059 87 THR B CA 3164 C C . THR B 87 ? 0.7012 0.6728 0.6597 0.0057 0.0139 -0.0036 87 THR B C 3165 O O . THR B 87 ? 0.7104 0.6868 0.6721 0.0093 0.0132 -0.0033 87 THR B O 3166 C CB . THR B 87 ? 0.6977 0.6778 0.6450 0.0102 0.0082 -0.0070 87 THR B CB 3167 O OG1 . THR B 87 ? 0.7071 0.7065 0.6562 0.0086 0.0081 -0.0093 87 THR B OG1 3168 C CG2 . THR B 87 ? 0.6870 0.6637 0.6254 0.0227 0.0023 -0.0072 87 THR B CG2 3169 N N . LYS B 88 ? 0.6794 0.6420 0.6352 0.0020 0.0150 -0.0021 88 LYS B N 3170 C CA . LYS B 88 ? 0.6405 0.6000 0.5966 0.0006 0.0149 0.0003 88 LYS B CA 3171 C C . LYS B 88 ? 0.6701 0.6367 0.6364 0.0023 0.0190 0.0006 88 LYS B C 3172 O O . LYS B 88 ? 0.6998 0.6671 0.6679 0.0043 0.0177 0.0020 88 LYS B O 3173 C CB . LYS B 88 ? 0.6372 0.5966 0.5887 -0.0067 0.0159 0.0019 88 LYS B CB 3174 C CG . LYS B 88 ? 0.6236 0.5903 0.5765 -0.0115 0.0163 0.0045 88 LYS B CG 3175 C CD . LYS B 88 ? 0.5977 0.5733 0.5447 -0.0220 0.0172 0.0063 88 LYS B CD 3176 C CE . LYS B 88 ? 0.6148 0.6114 0.5665 -0.0274 0.0187 0.0086 88 LYS B CE 3177 N NZ . LYS B 88 ? 0.6543 0.6721 0.6025 -0.0385 0.0208 0.0099 88 LYS B NZ 3178 N N . ILE B 89 ? 0.6639 0.6316 0.6324 0.0025 0.0233 -0.0007 89 ILE B N 3179 C CA . ILE B 89 ? 0.6641 0.6305 0.6345 0.0063 0.0260 -0.0003 89 ILE B CA 3180 C C . ILE B 89 ? 0.6448 0.6096 0.6159 0.0055 0.0246 0.0002 89 ILE B C 3181 O O . ILE B 89 ? 0.6743 0.6399 0.6478 0.0084 0.0245 0.0018 89 ILE B O 3182 C CB . ILE B 89 ? 0.6680 0.6255 0.6308 0.0089 0.0293 -0.0025 89 ILE B CB 3183 C CG1 . ILE B 89 ? 0.6896 0.6573 0.6530 0.0119 0.0313 -0.0034 89 ILE B CG1 3184 C CG2 . ILE B 89 ? 0.6999 0.6470 0.6563 0.0153 0.0305 -0.0021 89 ILE B CG2 3185 C CD1 . ILE B 89 ? 0.7231 0.6802 0.6752 0.0162 0.0340 -0.0069 89 ILE B CD1 3186 N N . ASP B 90 ? 0.6559 0.6235 0.6248 0.0010 0.0235 -0.0010 90 ASP B N 3187 C CA . ASP B 90 ? 0.6519 0.6281 0.6215 -0.0016 0.0225 -0.0006 90 ASP B CA 3188 C C . ASP B 90 ? 0.6756 0.6596 0.6502 0.0051 0.0198 0.0001 90 ASP B C 3189 O O . ASP B 90 ? 0.7040 0.6923 0.6799 0.0051 0.0200 0.0012 90 ASP B O 3190 C CB . ASP B 90 ? 0.6474 0.6385 0.6152 -0.0074 0.0213 -0.0024 90 ASP B CB 3191 C CG . ASP B 90 ? 0.7385 0.7198 0.6956 -0.0194 0.0233 -0.0029 90 ASP B CG 3192 O OD1 . ASP B 90 ? 0.7244 0.6820 0.6715 -0.0209 0.0254 -0.0020 90 ASP B OD1 3193 O OD2 . ASP B 90 ? 0.7573 0.7537 0.7126 -0.0264 0.0222 -0.0045 90 ASP B OD2 3194 N N . LEU B 91 ? 0.6903 0.6719 0.6630 0.0103 0.0165 -0.0004 91 LEU B N 3195 C CA . LEU B 91 ? 0.6372 0.6177 0.6063 0.0171 0.0124 -0.0004 91 LEU B CA 3196 C C . LEU B 91 ? 0.6522 0.6269 0.6241 0.0156 0.0134 0.0021 91 LEU B C 3197 O O . LEU B 91 ? 0.7936 0.7718 0.7664 0.0187 0.0126 0.0025 91 LEU B O 3198 C CB . LEU B 91 ? 0.6074 0.5756 0.5637 0.0216 0.0072 -0.0013 91 LEU B CB 3199 C CG . LEU B 91 ? 0.6518 0.6313 0.6037 0.0296 0.0044 -0.0045 91 LEU B CG 3200 C CD1 . LEU B 91 ? 0.6969 0.6568 0.6315 0.0333 -0.0008 -0.0049 91 LEU B CD1 3201 C CD2 . LEU B 91 ? 0.6198 0.6137 0.5688 0.0417 0.0015 -0.0070 91 LEU B CD2 3202 N N . TRP B 92 ? 0.6324 0.6031 0.6056 0.0114 0.0153 0.0036 92 TRP B N 3203 C CA . TRP B 92 ? 0.6381 0.6122 0.6153 0.0109 0.0165 0.0059 92 TRP B CA 3204 C C . TRP B 92 ? 0.6265 0.6026 0.6080 0.0140 0.0194 0.0065 92 TRP B C 3205 O O . TRP B 92 ? 0.6717 0.6502 0.6548 0.0160 0.0187 0.0080 92 TRP B O 3206 C CB . TRP B 92 ? 0.5918 0.5725 0.5702 0.0075 0.0184 0.0068 92 TRP B CB 3207 C CG . TRP B 92 ? 0.5811 0.5589 0.5504 -0.0008 0.0145 0.0081 92 TRP B CG 3208 C CD1 . TRP B 92 ? 0.5965 0.5696 0.5583 -0.0065 0.0136 0.0079 92 TRP B CD1 3209 C CD2 . TRP B 92 ? 0.6206 0.5942 0.5812 -0.0068 0.0100 0.0102 92 TRP B CD2 3210 N NE1 . TRP B 92 ? 0.6236 0.5873 0.5699 -0.0169 0.0085 0.0102 92 TRP B NE1 3211 C CE2 . TRP B 92 ? 0.6238 0.5865 0.5680 -0.0180 0.0060 0.0115 92 TRP B CE2 3212 C CE3 . TRP B 92 ? 0.6477 0.6227 0.6093 -0.0052 0.0084 0.0112 92 TRP B CE3 3213 C CZ2 . TRP B 92 ? 0.6371 0.5864 0.5618 -0.0298 0.0000 0.0140 92 TRP B CZ2 3214 C CZ3 . TRP B 92 ? 0.6599 0.6252 0.6059 -0.0151 0.0028 0.0131 92 TRP B CZ3 3215 C CH2 . TRP B 92 ? 0.6413 0.5918 0.5671 -0.0283 -0.0016 0.0146 92 TRP B CH2 3216 N N . SER B 93 ? 0.6402 0.6119 0.6195 0.0129 0.0220 0.0055 93 SER B N 3217 C CA . SER B 93 ? 0.6686 0.6331 0.6430 0.0130 0.0236 0.0068 93 SER B CA 3218 C C . SER B 93 ? 0.6459 0.6184 0.6223 0.0109 0.0219 0.0076 93 SER B C 3219 O O . SER B 93 ? 0.6483 0.6185 0.6233 0.0125 0.0219 0.0097 93 SER B O 3220 C CB . SER B 93 ? 0.6750 0.6260 0.6380 0.0077 0.0253 0.0057 93 SER B CB 3221 O OG . SER B 93 ? 0.6630 0.6063 0.6220 0.0128 0.0268 0.0042 93 SER B OG 3222 N N . TYR B 94 ? 0.6261 0.6104 0.6047 0.0096 0.0203 0.0056 94 TYR B N 3223 C CA . TYR B 94 ? 0.6352 0.6336 0.6148 0.0114 0.0187 0.0052 94 TYR B CA 3224 C C . TYR B 94 ? 0.6483 0.6425 0.6289 0.0179 0.0165 0.0060 94 TYR B C 3225 O O . TYR B 94 ? 0.6562 0.6546 0.6368 0.0182 0.0166 0.0073 94 TYR B O 3226 C CB . TYR B 94 ? 0.6415 0.6565 0.6209 0.0157 0.0163 0.0017 94 TYR B CB 3227 C CG . TYR B 94 ? 0.6461 0.6792 0.6246 0.0232 0.0142 0.0000 94 TYR B CG 3228 C CD1 . TYR B 94 ? 0.7123 0.7709 0.6924 0.0170 0.0162 0.0001 94 TYR B CD1 3229 C CD2 . TYR B 94 ? 0.6624 0.6863 0.6344 0.0354 0.0099 -0.0017 94 TYR B CD2 3230 C CE1 . TYR B 94 ? 0.7103 0.7922 0.6897 0.0258 0.0148 -0.0020 94 TYR B CE1 3231 C CE2 . TYR B 94 ? 0.6806 0.7191 0.6481 0.0458 0.0076 -0.0044 94 TYR B CE2 3232 C CZ . TYR B 94 ? 0.6523 0.7232 0.6255 0.0425 0.0105 -0.0047 94 TYR B CZ 3233 O OH . TYR B 94 ? 0.6483 0.7392 0.6171 0.0548 0.0086 -0.0080 94 TYR B OH 3234 N N . ASN B 95 ? 0.6106 0.5960 0.5893 0.0205 0.0140 0.0056 95 ASN B N 3235 C CA . ASN B 95 ? 0.6103 0.5897 0.5851 0.0224 0.0108 0.0065 95 ASN B CA 3236 C C . ASN B 95 ? 0.6285 0.6109 0.6088 0.0209 0.0130 0.0095 95 ASN B C 3237 O O . ASN B 95 ? 0.6807 0.6642 0.6593 0.0227 0.0112 0.0102 95 ASN B O 3238 C CB . ASN B 95 ? 0.6183 0.5867 0.5856 0.0187 0.0078 0.0068 95 ASN B CB 3239 C CG . ASN B 95 ? 0.6833 0.6386 0.6354 0.0231 0.0028 0.0041 95 ASN B CG 3240 O OD1 . ASN B 95 ? 0.7061 0.6640 0.6533 0.0327 0.0008 0.0012 95 ASN B OD1 3241 N ND2 . ASN B 95 ? 0.7337 0.6764 0.6759 0.0170 0.0004 0.0048 95 ASN B ND2 3242 N N . ALA B 96 ? 0.6385 0.6211 0.6225 0.0199 0.0162 0.0109 96 ALA B N 3243 C CA . ALA B 96 ? 0.6651 0.6504 0.6507 0.0228 0.0170 0.0133 96 ALA B CA 3244 C C . ALA B 96 ? 0.6742 0.6548 0.6561 0.0237 0.0178 0.0147 96 ALA B C 3245 O O . ALA B 96 ? 0.6696 0.6520 0.6511 0.0266 0.0169 0.0168 96 ALA B O 3246 C CB . ALA B 96 ? 0.6757 0.6621 0.6612 0.0269 0.0195 0.0134 96 ALA B CB 3247 N N . GLU B 97 ? 0.6303 0.6070 0.6081 0.0190 0.0193 0.0139 97 GLU B N 3248 C CA . GLU B 97 ? 0.6857 0.6591 0.6561 0.0146 0.0200 0.0159 97 GLU B CA 3249 C C . GLU B 97 ? 0.6623 0.6500 0.6370 0.0159 0.0183 0.0156 97 GLU B C 3250 O O . GLU B 97 ? 0.6856 0.6717 0.6568 0.0162 0.0180 0.0181 97 GLU B O 3251 C CB . GLU B 97 ? 0.7384 0.7109 0.7016 0.0043 0.0215 0.0153 97 GLU B CB 3252 C CG . GLU B 97 ? 0.7920 0.7542 0.7391 -0.0065 0.0221 0.0186 97 GLU B CG 3253 C CD . GLU B 97 ? 0.8602 0.7874 0.7874 -0.0044 0.0215 0.0211 97 GLU B CD 3254 O OE1 . GLU B 97 ? 0.9091 0.8197 0.8274 -0.0041 0.0219 0.0197 97 GLU B OE1 3255 O OE2 . GLU B 97 ? 0.9071 0.8211 0.8238 -0.0014 0.0202 0.0242 97 GLU B OE2 3256 N N . LEU B 98 ? 0.6452 0.6442 0.6240 0.0187 0.0168 0.0122 98 LEU B N 3257 C CA . LEU B 98 ? 0.6278 0.6374 0.6055 0.0239 0.0145 0.0104 98 LEU B CA 3258 C C . LEU B 98 ? 0.6725 0.6731 0.6490 0.0273 0.0119 0.0117 98 LEU B C 3259 O O . LEU B 98 ? 0.7990 0.8042 0.7733 0.0289 0.0112 0.0123 98 LEU B O 3260 C CB . LEU B 98 ? 0.6068 0.6218 0.5816 0.0313 0.0117 0.0057 98 LEU B CB 3261 C CG . LEU B 98 ? 0.6536 0.6750 0.6205 0.0420 0.0082 0.0023 98 LEU B CG 3262 C CD1 . LEU B 98 ? 0.7127 0.7596 0.6827 0.0399 0.0112 0.0027 98 LEU B CD1 3263 C CD2 . LEU B 98 ? 0.6659 0.6870 0.6221 0.0547 0.0041 -0.0028 98 LEU B CD2 3264 N N . LEU B 99 ? 0.6979 0.6897 0.6753 0.0266 0.0105 0.0124 99 LEU B N 3265 C CA . LEU B 99 ? 0.6555 0.6448 0.6308 0.0259 0.0076 0.0139 99 LEU B CA 3266 C C . LEU B 99 ? 0.6671 0.6616 0.6457 0.0269 0.0092 0.0173 99 LEU B C 3267 O O . LEU B 99 ? 0.6623 0.6588 0.6381 0.0274 0.0069 0.0181 99 LEU B O 3268 C CB . LEU B 99 ? 0.6607 0.6499 0.6375 0.0214 0.0070 0.0149 99 LEU B CB 3269 C CG . LEU B 99 ? 0.6780 0.6712 0.6507 0.0157 0.0033 0.0166 99 LEU B CG 3270 C CD1 . LEU B 99 ? 0.7168 0.6928 0.6722 0.0129 -0.0023 0.0145 99 LEU B CD1 3271 C CD2 . LEU B 99 ? 0.6674 0.6713 0.6427 0.0089 0.0036 0.0179 99 LEU B CD2 3272 N N . VAL B 100 ? 0.6994 0.6916 0.6795 0.0277 0.0123 0.0193 100 VAL B N 3273 C CA . VAL B 100 ? 0.7162 0.7059 0.6927 0.0309 0.0126 0.0227 100 VAL B CA 3274 C C . VAL B 100 ? 0.7247 0.7149 0.6964 0.0282 0.0125 0.0235 100 VAL B C 3275 O O . VAL B 100 ? 0.7469 0.7401 0.7171 0.0303 0.0107 0.0254 100 VAL B O 3276 C CB . VAL B 100 ? 0.7291 0.7049 0.6979 0.0336 0.0147 0.0240 100 VAL B CB 3277 C CG1 . VAL B 100 ? 0.8212 0.7817 0.7753 0.0356 0.0142 0.0276 100 VAL B CG1 3278 C CG2 . VAL B 100 ? 0.7261 0.7094 0.6993 0.0412 0.0146 0.0233 100 VAL B CG2 3279 N N . ALA B 101 ? 0.6452 0.6375 0.6148 0.0229 0.0144 0.0221 101 ALA B N 3280 C CA . ALA B 101 ? 0.6470 0.6483 0.6120 0.0188 0.0150 0.0227 101 ALA B CA 3281 C C . ALA B 101 ? 0.6478 0.6589 0.6152 0.0248 0.0124 0.0203 101 ALA B C 3282 O O . ALA B 101 ? 0.6868 0.7006 0.6503 0.0246 0.0118 0.0222 101 ALA B O 3283 C CB . ALA B 101 ? 0.6568 0.6713 0.6210 0.0118 0.0173 0.0206 101 ALA B CB 3284 N N . LEU B 102 ? 0.6652 0.6769 0.6342 0.0300 0.0100 0.0160 102 LEU B N 3285 C CA . LEU B 102 ? 0.6783 0.6885 0.6405 0.0361 0.0060 0.0129 102 LEU B CA 3286 C C . LEU B 102 ? 0.6692 0.6732 0.6302 0.0340 0.0036 0.0159 102 LEU B C 3287 O O . LEU B 102 ? 0.7112 0.7178 0.6668 0.0360 0.0021 0.0157 102 LEU B O 3288 C CB . LEU B 102 ? 0.7300 0.7283 0.6853 0.0399 0.0023 0.0090 102 LEU B CB 3289 C CG . LEU B 102 ? 0.8538 0.8550 0.7994 0.0506 0.0005 0.0032 102 LEU B CG 3290 C CD1 . LEU B 102 ? 0.8716 0.9018 0.8227 0.0540 0.0044 0.0018 102 LEU B CD1 3291 C CD2 . LEU B 102 ? 0.8686 0.8604 0.8131 0.0505 -0.0003 0.0020 102 LEU B CD2 3292 N N . GLU B 103 ? 0.6546 0.6550 0.6205 0.0305 0.0032 0.0184 103 GLU B N 3293 C CA . GLU B 103 ? 0.6798 0.6830 0.6452 0.0282 0.0003 0.0210 103 GLU B CA 3294 C C . GLU B 103 ? 0.6881 0.6966 0.6547 0.0310 0.0017 0.0245 103 GLU B C 3295 O O . GLU B 103 ? 0.6492 0.6612 0.6120 0.0306 -0.0010 0.0255 103 GLU B O 3296 C CB . GLU B 103 ? 0.7326 0.7425 0.7045 0.0254 0.0005 0.0228 103 GLU B CB 3297 C CG . GLU B 103 ? 0.7848 0.7889 0.7511 0.0181 -0.0022 0.0205 103 GLU B CG 3298 C CD . GLU B 103 ? 0.8634 0.8607 0.8151 0.0096 -0.0083 0.0200 103 GLU B CD 3299 O OE1 . GLU B 103 ? 0.9113 0.9106 0.8595 0.0106 -0.0101 0.0206 103 GLU B OE1 3300 O OE2 . GLU B 103 ? 0.9344 0.9207 0.8738 0.0001 -0.0119 0.0190 103 GLU B OE2 3301 N N . ASN B 104 ? 0.6374 0.6427 0.6051 0.0325 0.0052 0.0268 104 ASN B N 3302 C CA . ASN B 104 ? 0.6342 0.6363 0.5957 0.0343 0.0055 0.0309 104 ASN B CA 3303 C C . ASN B 104 ? 0.6647 0.6712 0.6213 0.0314 0.0054 0.0303 104 ASN B C 3304 O O . ASN B 104 ? 0.6748 0.6836 0.6276 0.0329 0.0034 0.0325 104 ASN B O 3305 C CB . ASN B 104 ? 0.6484 0.6355 0.6019 0.0341 0.0079 0.0335 104 ASN B CB 3306 C CG . ASN B 104 ? 0.6806 0.6635 0.6347 0.0424 0.0074 0.0341 104 ASN B CG 3307 O OD1 . ASN B 104 ? 0.6509 0.6498 0.6133 0.0477 0.0053 0.0336 104 ASN B OD1 3308 N ND2 . ASN B 104 ? 0.7012 0.6645 0.6440 0.0429 0.0090 0.0349 104 ASN B ND2 3309 N N . GLN B 105 ? 0.6607 0.6731 0.6173 0.0288 0.0075 0.0269 105 GLN B N 3310 C CA . GLN B 105 ? 0.6794 0.7036 0.6312 0.0289 0.0076 0.0250 105 GLN B CA 3311 C C . GLN B 105 ? 0.6926 0.7151 0.6413 0.0339 0.0033 0.0230 105 GLN B C 3312 O O . GLN B 105 ? 0.7351 0.7615 0.6786 0.0340 0.0026 0.0244 105 GLN B O 3313 C CB . GLN B 105 ? 0.6997 0.7381 0.6524 0.0308 0.0093 0.0198 105 GLN B CB 3314 C CG . GLN B 105 ? 0.6982 0.7586 0.6455 0.0329 0.0105 0.0173 105 GLN B CG 3315 C CD . GLN B 105 ? 0.7310 0.8000 0.6741 0.0201 0.0138 0.0230 105 GLN B CD 3316 O OE1 . GLN B 105 ? 0.7469 0.8149 0.6883 0.0087 0.0164 0.0264 105 GLN B OE1 3317 N NE2 . GLN B 105 ? 0.7491 0.8224 0.6862 0.0202 0.0131 0.0246 105 GLN B NE2 3318 N N . HIS B 106 ? 0.6944 0.7088 0.6426 0.0359 0.0001 0.0199 106 HIS B N 3319 C CA . HIS B 106 ? 0.7246 0.7316 0.6634 0.0361 -0.0051 0.0182 106 HIS B CA 3320 C C . HIS B 106 ? 0.6974 0.7101 0.6395 0.0326 -0.0064 0.0234 106 HIS B C 3321 O O . HIS B 106 ? 0.7759 0.7894 0.7103 0.0327 -0.0089 0.0232 106 HIS B O 3322 C CB . HIS B 106 ? 0.6985 0.6921 0.6318 0.0327 -0.0089 0.0160 106 HIS B CB 3323 C CG . HIS B 106 ? 0.7485 0.7278 0.6638 0.0280 -0.0157 0.0142 106 HIS B CG 3324 N ND1 . HIS B 106 ? 0.7421 0.7250 0.6574 0.0162 -0.0189 0.0176 106 HIS B ND1 3325 C CD2 . HIS B 106 ? 0.8555 0.8158 0.7475 0.0326 -0.0205 0.0091 106 HIS B CD2 3326 C CE1 . HIS B 106 ? 0.8004 0.7655 0.6928 0.0095 -0.0256 0.0154 106 HIS B CE1 3327 N NE2 . HIS B 106 ? 0.8795 0.8256 0.7552 0.0206 -0.0269 0.0100 106 HIS B NE2 3328 N N . THR B 107 ? 0.6859 0.7034 0.6374 0.0317 -0.0050 0.0276 107 THR B N 3329 C CA . THR B 107 ? 0.6855 0.7120 0.6387 0.0330 -0.0068 0.0321 107 THR B CA 3330 C C . THR B 107 ? 0.7106 0.7354 0.6577 0.0358 -0.0059 0.0351 107 THR B C 3331 O O . THR B 107 ? 0.7090 0.7401 0.6525 0.0362 -0.0091 0.0368 107 THR B O 3332 C CB . THR B 107 ? 0.6950 0.7259 0.6549 0.0379 -0.0053 0.0350 107 THR B CB 3333 O OG1 . THR B 107 ? 0.7768 0.8153 0.7424 0.0335 -0.0063 0.0328 107 THR B OG1 3334 C CG2 . THR B 107 ? 0.7321 0.7745 0.6908 0.0451 -0.0078 0.0392 107 THR B CG2 3335 N N . ILE B 108 ? 0.7227 0.7401 0.6666 0.0353 -0.0019 0.0361 108 ILE B N 3336 C CA . ILE B 108 ? 0.7227 0.7371 0.6566 0.0337 -0.0010 0.0397 108 ILE B CA 3337 C C . ILE B 108 ? 0.7411 0.7653 0.6720 0.0327 -0.0023 0.0366 108 ILE B C 3338 O O . ILE B 108 ? 0.7512 0.7770 0.6757 0.0331 -0.0043 0.0394 108 ILE B O 3339 C CB . ILE B 108 ? 0.7679 0.7757 0.6953 0.0269 0.0032 0.0411 108 ILE B CB 3340 C CG1 . ILE B 108 ? 0.8279 0.8133 0.7406 0.0269 0.0025 0.0474 108 ILE B CG1 3341 C CG2 . ILE B 108 ? 0.7972 0.8163 0.7171 0.0201 0.0051 0.0412 108 ILE B CG2 3342 C CD1 . ILE B 108 ? 0.8583 0.8345 0.7745 0.0365 0.0010 0.0474 108 ILE B CD1 3343 N N . ASP B 109 ? 0.7649 0.7936 0.6972 0.0336 -0.0017 0.0304 109 ASP B N 3344 C CA . ASP B 109 ? 0.7592 0.7943 0.6831 0.0367 -0.0029 0.0259 109 ASP B CA 3345 C C . ASP B 109 ? 0.7655 0.7934 0.6829 0.0372 -0.0088 0.0249 109 ASP B C 3346 O O . ASP B 109 ? 0.8164 0.8471 0.7246 0.0386 -0.0104 0.0239 109 ASP B O 3347 C CB . ASP B 109 ? 0.7845 0.8243 0.7060 0.0426 -0.0017 0.0187 109 ASP B CB 3348 C CG . ASP B 109 ? 0.8896 0.9502 0.8149 0.0398 0.0041 0.0192 109 ASP B CG 3349 O OD1 . ASP B 109 ? 0.8754 0.9446 0.7988 0.0311 0.0069 0.0246 109 ASP B OD1 3350 O OD2 . ASP B 109 ? 0.9161 0.9852 0.8431 0.0450 0.0053 0.0142 109 ASP B OD2 3351 N N . LEU B 110 ? 0.7623 0.7839 0.6829 0.0339 -0.0122 0.0254 110 LEU B N 3352 C CA . LEU B 110 ? 0.7441 0.7611 0.6543 0.0293 -0.0185 0.0244 110 LEU B CA 3353 C C . LEU B 110 ? 0.7459 0.7759 0.6595 0.0276 -0.0200 0.0299 110 LEU B C 3354 O O . LEU B 110 ? 0.8076 0.8375 0.7107 0.0236 -0.0247 0.0292 110 LEU B O 3355 C CB . LEU B 110 ? 0.7629 0.7721 0.6703 0.0215 -0.0224 0.0230 110 LEU B CB 3356 C CG . LEU B 110 ? 0.7839 0.8085 0.7016 0.0130 -0.0241 0.0273 110 LEU B CG 3357 C CD1 . LEU B 110 ? 0.7604 0.7861 0.6896 0.0145 -0.0204 0.0274 110 LEU B CD1 3358 C CD2 . LEU B 110 ? 0.8146 0.8634 0.7429 0.0155 -0.0242 0.0329 110 LEU B CD2 3359 N N . THR B 111 ? 0.7182 0.7560 0.6424 0.0314 -0.0168 0.0353 111 THR B N 3360 C CA . THR B 111 ? 0.7392 0.7869 0.6633 0.0342 -0.0189 0.0408 111 THR B CA 3361 C C . THR B 111 ? 0.7820 0.8256 0.6964 0.0354 -0.0178 0.0423 111 THR B C 3362 O O . THR B 111 ? 0.7907 0.8409 0.6998 0.0357 -0.0213 0.0447 111 THR B O 3363 C CB . THR B 111 ? 0.7380 0.7867 0.6678 0.0418 -0.0172 0.0455 111 THR B CB 3364 O OG1 . THR B 111 ? 0.7207 0.7537 0.6490 0.0419 -0.0121 0.0453 111 THR B OG1 3365 C CG2 . THR B 111 ? 0.7230 0.7867 0.6627 0.0420 -0.0190 0.0446 111 THR B CG2 3366 N N . ASP B 112 ? 0.7813 0.8186 0.6931 0.0348 -0.0129 0.0411 112 ASP B N 3367 C CA . ASP B 112 ? 0.7967 0.8369 0.6986 0.0332 -0.0111 0.0413 112 ASP B CA 3368 C C . ASP B 112 ? 0.7830 0.8266 0.6779 0.0342 -0.0147 0.0357 112 ASP B C 3369 O O . ASP B 112 ? 0.8332 0.8804 0.7201 0.0337 -0.0168 0.0374 112 ASP B O 3370 C CB . ASP B 112 ? 0.8533 0.8974 0.7548 0.0300 -0.0052 0.0396 112 ASP B CB 3371 C CG . ASP B 112 ? 0.9218 0.9749 0.8119 0.0242 -0.0024 0.0426 112 ASP B CG 3372 O OD1 . ASP B 112 ? 1.0073 1.0550 0.8888 0.0229 -0.0049 0.0478 112 ASP B OD1 3373 O OD2 . ASP B 112 ? 0.8967 0.9660 0.7855 0.0201 0.0020 0.0401 112 ASP B OD2 3374 N N . ALA B 113 ? 0.7407 0.7781 0.6341 0.0356 -0.0163 0.0291 113 ALA B N 3375 C CA . ALA B 113 ? 0.7870 0.8162 0.6641 0.0371 -0.0209 0.0230 113 ALA B CA 3376 C C . ALA B 113 ? 0.8110 0.8397 0.6827 0.0303 -0.0271 0.0257 113 ALA B C 3377 O O . ALA B 113 ? 0.8058 0.8309 0.6623 0.0306 -0.0302 0.0231 113 ALA B O 3378 C CB . ALA B 113 ? 0.8083 0.8205 0.6764 0.0396 -0.0233 0.0161 113 ALA B CB 3379 N N . GLU B 114 ? 0.7738 0.8099 0.6568 0.0248 -0.0291 0.0305 114 GLU B N 3380 C CA . GLU B 114 ? 0.7902 0.8363 0.6692 0.0174 -0.0352 0.0333 114 GLU B CA 3381 C C . GLU B 114 ? 0.7954 0.8519 0.6736 0.0218 -0.0350 0.0377 114 GLU B C 3382 O O . GLU B 114 ? 0.7799 0.8393 0.6471 0.0172 -0.0398 0.0373 114 GLU B O 3383 C CB . GLU B 114 ? 0.8075 0.8722 0.7001 0.0130 -0.0371 0.0374 114 GLU B CB 3384 C CG . GLU B 114 ? 0.9214 0.9782 0.8092 0.0019 -0.0397 0.0338 114 GLU B CG 3385 C CD . GLU B 114 ? 0.9426 0.9798 0.8039 -0.0113 -0.0467 0.0291 114 GLU B CD 3386 O OE1 . GLU B 114 ? 0.9478 0.9960 0.8009 -0.0195 -0.0519 0.0308 114 GLU B OE1 3387 O OE2 . GLU B 114 ? 0.9535 0.9612 0.7984 -0.0132 -0.0479 0.0238 114 GLU B OE2 3388 N N . MET B 115 ? 0.7968 0.8552 0.6825 0.0291 -0.0300 0.0422 115 MET B N 3389 C CA . MET B 115 ? 0.8279 0.8901 0.7075 0.0323 -0.0300 0.0474 115 MET B CA 3390 C C . MET B 115 ? 0.8448 0.9035 0.7111 0.0305 -0.0294 0.0432 115 MET B C 3391 O O . MET B 115 ? 0.8904 0.9538 0.7477 0.0290 -0.0333 0.0442 115 MET B O 3392 C CB . MET B 115 ? 0.8150 0.8693 0.6953 0.0366 -0.0253 0.0528 115 MET B CB 3393 C CG . MET B 115 ? 0.8611 0.9122 0.7281 0.0377 -0.0262 0.0588 115 MET B CG 3394 S SD . MET B 115 ? 0.9083 0.9713 0.7725 0.0450 -0.0341 0.0639 115 MET B SD 3395 C CE . MET B 115 ? 0.9349 0.9807 0.7936 0.0559 -0.0336 0.0704 115 MET B CE 3396 N N . ASN B 116 ? 0.8509 0.9050 0.7155 0.0322 -0.0247 0.0381 116 ASN B N 3397 C CA . ASN B 116 ? 0.8364 0.8920 0.6873 0.0348 -0.0237 0.0323 116 ASN B CA 3398 C C . ASN B 116 ? 0.8187 0.8637 0.6542 0.0341 -0.0305 0.0264 116 ASN B C 3399 O O . ASN B 116 ? 0.8529 0.8997 0.6753 0.0347 -0.0324 0.0252 116 ASN B O 3400 C CB . ASN B 116 ? 0.8394 0.8977 0.6914 0.0401 -0.0186 0.0264 116 ASN B CB 3401 C CG . ASN B 116 ? 0.8312 0.9017 0.6701 0.0465 -0.0161 0.0207 116 ASN B CG 3402 O OD1 . ASN B 116 ? 0.8467 0.9111 0.6730 0.0565 -0.0179 0.0116 116 ASN B OD1 3403 N ND2 . ASN B 116 ? 0.8671 0.9540 0.7053 0.0417 -0.0125 0.0260 116 ASN B ND2 3404 N N . LYS B 117 ? 0.8034 0.8348 0.6367 0.0307 -0.0346 0.0232 117 LYS B N 3405 C CA . LYS B 117 ? 0.8450 0.8585 0.6557 0.0249 -0.0425 0.0182 117 LYS B CA 3406 C C . LYS B 117 ? 0.8565 0.8816 0.6644 0.0167 -0.0473 0.0230 117 LYS B C 3407 O O . LYS B 117 ? 0.8379 0.8507 0.6226 0.0143 -0.0523 0.0187 117 LYS B O 3408 C CB . LYS B 117 ? 0.8560 0.8537 0.6627 0.0159 -0.0470 0.0165 117 LYS B CB 3409 C CG . LYS B 117 ? 0.9200 0.8897 0.7083 0.0243 -0.0472 0.0080 117 LYS B CG 3410 C CD . LYS B 117 ? 1.0076 0.9701 0.8038 0.0185 -0.0474 0.0089 117 LYS B CD 3411 C CE . LYS B 117 ? 1.0549 1.0073 0.8382 -0.0019 -0.0554 0.0109 117 LYS B CE 3412 N NZ . LYS B 117 ? 1.0538 0.9740 0.8173 -0.0057 -0.0590 0.0066 117 LYS B NZ 3413 N N . LEU B 118 ? 0.7836 0.8310 0.6119 0.0145 -0.0463 0.0315 118 LEU B N 3414 C CA . LEU B 118 ? 0.8335 0.8979 0.6609 0.0088 -0.0516 0.0365 118 LEU B CA 3415 C C . LEU B 118 ? 0.8440 0.9112 0.6641 0.0150 -0.0498 0.0383 118 LEU B C 3416 O O . LEU B 118 ? 0.8546 0.9260 0.6626 0.0102 -0.0550 0.0385 118 LEU B O 3417 C CB . LEU B 118 ? 0.8281 0.9166 0.6760 0.0108 -0.0516 0.0441 118 LEU B CB 3418 C CG . LEU B 118 ? 0.8951 1.0093 0.7436 0.0096 -0.0574 0.0497 118 LEU B CG 3419 C CD1 . LEU B 118 ? 0.9387 1.0642 0.7781 -0.0077 -0.0652 0.0471 118 LEU B CD1 3420 C CD2 . LEU B 118 ? 0.8542 0.9891 0.7187 0.0218 -0.0566 0.0568 118 LEU B CD2 3421 N N . PHE B 119 ? 0.7957 0.8618 0.6213 0.0231 -0.0427 0.0398 119 PHE B N 3422 C CA . PHE B 119 ? 0.8320 0.9019 0.6482 0.0260 -0.0401 0.0414 119 PHE B CA 3423 C C . PHE B 119 ? 0.8491 0.9107 0.6455 0.0271 -0.0417 0.0324 119 PHE B C 3424 O O . PHE B 119 ? 0.8824 0.9468 0.6659 0.0257 -0.0447 0.0325 119 PHE B O 3425 C CB . PHE B 119 ? 0.8294 0.9011 0.6516 0.0291 -0.0322 0.0441 119 PHE B CB 3426 C CG . PHE B 119 ? 0.8604 0.9399 0.6710 0.0284 -0.0289 0.0459 119 PHE B CG 3427 C CD1 . PHE B 119 ? 0.8856 0.9654 0.6906 0.0255 -0.0302 0.0553 119 PHE B CD1 3428 C CD2 . PHE B 119 ? 0.8981 0.9854 0.6999 0.0317 -0.0251 0.0380 119 PHE B CD2 3429 C CE1 . PHE B 119 ? 0.9024 0.9893 0.6938 0.0215 -0.0272 0.0576 119 PHE B CE1 3430 C CE2 . PHE B 119 ? 0.8995 1.0016 0.6907 0.0297 -0.0216 0.0396 119 PHE B CE2 3431 C CZ . PHE B 119 ? 0.8891 0.9904 0.6752 0.0223 -0.0225 0.0499 119 PHE B CZ 3432 N N . GLU B 120 ? 0.8875 0.9368 0.6784 0.0318 -0.0401 0.0243 120 GLU B N 3433 C CA . GLU B 120 ? 0.9386 0.9736 0.7042 0.0385 -0.0423 0.0141 120 GLU B CA 3434 C C . GLU B 120 ? 0.9490 0.9663 0.6930 0.0297 -0.0519 0.0118 120 GLU B C 3435 O O . GLU B 120 ? 0.9708 0.9820 0.6932 0.0329 -0.0544 0.0074 120 GLU B O 3436 C CB . GLU B 120 ? 0.9643 0.9843 0.7248 0.0475 -0.0409 0.0061 120 GLU B CB 3437 C CG . GLU B 120 ? 1.0350 1.0645 0.7851 0.0646 -0.0357 -0.0019 120 GLU B CG 3438 C CD . GLU B 120 ? 1.0395 1.1055 0.8056 0.0637 -0.0275 0.0038 120 GLU B CD 3439 O OE1 . GLU B 120 ? 1.1187 1.1955 0.9062 0.0532 -0.0242 0.0136 120 GLU B OE1 3440 O OE2 . GLU B 120 ? 1.0245 1.1066 0.7776 0.0732 -0.0248 -0.0013 120 GLU B OE2 3441 N N . LYS B 121 ? 0.9802 0.9930 0.7296 0.0170 -0.0572 0.0153 121 LYS B N 3442 C CA . LYS B 121 ? 0.9787 0.9759 0.7050 0.0026 -0.0671 0.0133 121 LYS B CA 3443 C C . LYS B 121 ? 0.9706 0.9884 0.6978 -0.0017 -0.0695 0.0185 121 LYS B C 3444 O O . LYS B 121 ? 0.9516 0.9553 0.6515 -0.0084 -0.0761 0.0145 121 LYS B O 3445 C CB . LYS B 121 ? 0.9660 0.9684 0.7040 -0.0120 -0.0706 0.0175 121 LYS B CB 3446 C CG . LYS B 121 ? 1.0056 1.0021 0.7230 -0.0346 -0.0810 0.0177 121 LYS B CG 3447 C CD . LYS B 121 ? 1.0391 1.0632 0.7797 -0.0472 -0.0818 0.0241 121 LYS B CD 3448 C CE . LYS B 121 ? 1.1423 1.1631 0.8597 -0.0755 -0.0920 0.0240 121 LYS B CE 3449 N NZ . LYS B 121 ? 1.2109 1.2418 0.9119 -0.0868 -0.0989 0.0250 121 LYS B NZ 3450 N N . THR B 122 ? 0.8996 0.9466 0.6542 0.0025 -0.0646 0.0273 122 THR B N 3451 C CA . THR B 122 ? 0.9299 0.9961 0.6858 0.0020 -0.0664 0.0334 122 THR B CA 3452 C C . THR B 122 ? 0.9821 1.0410 0.7206 0.0096 -0.0635 0.0291 122 THR B C 3453 O O . THR B 122 ? 1.0559 1.1134 0.7764 0.0051 -0.0687 0.0277 122 THR B O 3454 C CB . THR B 122 ? 0.8540 0.9420 0.6345 0.0085 -0.0624 0.0434 122 THR B CB 3455 O OG1 . THR B 122 ? 0.8433 0.9429 0.6390 0.0044 -0.0650 0.0462 122 THR B OG1 3456 C CG2 . THR B 122 ? 0.8641 0.9682 0.6412 0.0095 -0.0658 0.0501 122 THR B CG2 3457 N N . ARG B 123 ? 0.9401 0.9985 0.6830 0.0204 -0.0553 0.0269 123 ARG B N 3458 C CA . ARG B 123 ? 0.9366 0.9977 0.6641 0.0281 -0.0517 0.0224 123 ARG B CA 3459 C C . ARG B 123 ? 0.9645 1.0026 0.6600 0.0300 -0.0579 0.0116 123 ARG B C 3460 O O . ARG B 123 ? 1.0178 1.0579 0.6963 0.0308 -0.0599 0.0099 123 ARG B O 3461 C CB . ARG B 123 ? 0.9443 1.0155 0.6802 0.0376 -0.0423 0.0201 123 ARG B CB 3462 C CG . ARG B 123 ? 0.9716 1.0409 0.6861 0.0508 -0.0402 0.0084 123 ARG B CG 3463 C CD . ARG B 123 ? 1.0065 1.0998 0.7319 0.0590 -0.0308 0.0068 123 ARG B CD 3464 N NE . ARG B 123 ? 1.1047 1.1964 0.8078 0.0774 -0.0304 -0.0065 123 ARG B NE 3465 C CZ . ARG B 123 ? 1.1957 1.2625 0.8856 0.0893 -0.0340 -0.0158 123 ARG B CZ 3466 N NH1 . ARG B 123 ? 1.2074 1.2522 0.9078 0.0815 -0.0372 -0.0128 123 ARG B NH1 3467 N NH2 . ARG B 123 ? 1.3021 1.3656 0.9649 0.1111 -0.0346 -0.0286 123 ARG B NH2 3468 N N . ARG B 124 ? 0.9566 0.9681 0.6396 0.0306 -0.0616 0.0045 124 ARG B N 3469 C CA . ARG B 124 ? 1.0101 0.9859 0.6523 0.0338 -0.0688 -0.0067 124 ARG B CA 3470 C C . ARG B 124 ? 1.0376 1.0031 0.6592 0.0183 -0.0782 -0.0054 124 ARG B C 3471 O O . ARG B 124 ? 1.0618 1.0042 0.6477 0.0230 -0.0827 -0.0136 124 ARG B O 3472 C CB . ARG B 124 ? 1.0308 0.9725 0.6588 0.0333 -0.0729 -0.0124 124 ARG B CB 3473 C CG . ARG B 124 ? 1.0342 0.9784 0.6681 0.0540 -0.0656 -0.0181 124 ARG B CG 3474 C CD . ARG B 124 ? 1.0789 0.9753 0.6771 0.0610 -0.0722 -0.0280 124 ARG B CD 3475 N NE . ARG B 124 ? 1.1178 1.0203 0.7132 0.0875 -0.0662 -0.0360 124 ARG B NE 3476 C CZ . ARG B 124 ? 1.0703 0.9885 0.6910 0.0929 -0.0602 -0.0342 124 ARG B CZ 3477 N NH1 . ARG B 124 ? 1.0247 0.9501 0.6749 0.0746 -0.0591 -0.0248 124 ARG B NH1 3478 N NH2 . ARG B 124 ? 1.0629 0.9926 0.6776 0.1180 -0.0555 -0.0424 124 ARG B NH2 3479 N N . GLN B 125 ? 1.0063 0.9909 0.6485 0.0009 -0.0813 0.0041 125 GLN B N 3480 C CA . GLN B 125 ? 1.0442 1.0307 0.6716 -0.0158 -0.0902 0.0066 125 GLN B CA 3481 C C . GLN B 125 ? 1.0618 1.0661 0.6869 -0.0100 -0.0887 0.0087 125 GLN B C 3482 O O . GLN B 125 ? 1.0250 1.0140 0.6196 -0.0164 -0.0955 0.0042 125 GLN B O 3483 C CB . GLN B 125 ? 1.0178 1.0361 0.6736 -0.0305 -0.0927 0.0170 125 GLN B CB 3484 C CG . GLN B 125 ? 1.0381 1.0420 0.6846 -0.0485 -0.0991 0.0155 125 GLN B CG 3485 C CD . GLN B 125 ? 1.0664 1.1147 0.7386 -0.0625 -0.1023 0.0252 125 GLN B CD 3486 O OE1 . GLN B 125 ? 0.9806 1.0565 0.6868 -0.0541 -0.0967 0.0314 125 GLN B OE1 3487 N NE2 . GLN B 125 ? 1.0726 1.1312 0.7270 -0.0826 -0.1118 0.0263 125 GLN B NE2 3488 N N . LEU B 126 ? 1.0504 1.0849 0.7054 -0.0003 -0.0803 0.0162 126 LEU B N 3489 C CA . LEU B 126 ? 1.0165 1.0712 0.6732 0.0040 -0.0775 0.0210 126 LEU B CA 3490 C C . LEU B 126 ? 1.0269 1.0696 0.6571 0.0150 -0.0749 0.0114 126 LEU B C 3491 O O . LEU B 126 ? 1.0260 1.0747 0.6422 0.0140 -0.0770 0.0118 126 LEU B O 3492 C CB . LEU B 126 ? 0.9862 1.0636 0.6721 0.0108 -0.0690 0.0303 126 LEU B CB 3493 C CG . LEU B 126 ? 0.9808 1.0784 0.6869 0.0069 -0.0713 0.0428 126 LEU B CG 3494 C CD1 . LEU B 126 ? 1.0033 1.1090 0.7093 -0.0039 -0.0811 0.0444 126 LEU B CD1 3495 C CD2 . LEU B 126 ? 0.9637 1.0643 0.6924 0.0123 -0.0651 0.0479 126 LEU B CD2 3496 N N . ARG B 127 ? 1.0551 1.0848 0.6788 0.0279 -0.0702 0.0028 127 ARG B N 3497 C CA . ARG B 127 ? 1.0968 1.1183 0.6928 0.0437 -0.0679 -0.0082 127 ARG B CA 3498 C C . ARG B 127 ? 1.0744 1.1310 0.6789 0.0477 -0.0607 -0.0035 127 ARG B C 3499 O O . ARG B 127 ? 1.0001 1.0823 0.6326 0.0419 -0.0549 0.0073 127 ARG B O 3500 C CB . ARG B 127 ? 1.1472 1.1285 0.6998 0.0407 -0.0789 -0.0177 127 ARG B CB 3501 C CG . ARG B 127 ? 1.2163 1.1636 0.7343 0.0609 -0.0798 -0.0325 127 ARG B CG 3502 C CD . ARG B 127 ? 1.2638 1.1542 0.7409 0.0512 -0.0924 -0.0392 127 ARG B CD 3503 N NE . ARG B 127 ? 1.3740 1.2280 0.7978 0.0604 -0.0995 -0.0507 127 ARG B NE 3504 C CZ . ARG B 127 ? 1.5031 1.2971 0.8761 0.0507 -0.1121 -0.0577 127 ARG B CZ 3505 N NH1 . ARG B 127 ? 1.5275 1.2969 0.8987 0.0288 -0.1187 -0.0535 127 ARG B NH1 3506 N NH2 . ARG B 127 ? 1.5792 1.3362 0.8991 0.0612 -0.1187 -0.0688 127 ARG B NH2 3507 N N . GLU B 128 ? 1.1692 1.2247 0.7461 0.0565 -0.0613 -0.0113 128 GLU B N 3508 C CA . GLU B 128 ? 1.1738 1.2654 0.7562 0.0580 -0.0541 -0.0066 128 GLU B CA 3509 C C . GLU B 128 ? 1.0725 1.1782 0.6701 0.0406 -0.0561 0.0081 128 GLU B C 3510 O O . GLU B 128 ? 1.0183 1.1504 0.6221 0.0381 -0.0500 0.0150 128 GLU B O 3511 C CB . GLU B 128 ? 1.2573 1.3483 0.8053 0.0743 -0.0540 -0.0195 128 GLU B CB 3512 C CG . GLU B 128 ? 1.5072 1.5763 1.0263 0.0681 -0.0632 -0.0219 128 GLU B CG 3513 C CD . GLU B 128 ? 1.6058 1.6229 1.0956 0.0649 -0.0751 -0.0298 128 GLU B CD 3514 O OE1 . GLU B 128 ? 1.5985 1.6024 1.1043 0.0507 -0.0794 -0.0238 128 GLU B OE1 3515 O OE2 . GLU B 128 ? 1.6058 1.5945 1.0527 0.0755 -0.0806 -0.0421 128 GLU B OE2 3516 N N . ASN B 129 ? 1.0434 1.1338 0.6453 0.0287 -0.0648 0.0135 129 ASN B N 3517 C CA . ASN B 129 ? 1.0041 1.1093 0.6191 0.0175 -0.0678 0.0273 129 ASN B CA 3518 C C . ASN B 129 ? 0.9844 1.1030 0.6260 0.0153 -0.0628 0.0396 129 ASN B C 3519 O O . ASN B 129 ? 0.9158 1.0397 0.5643 0.0102 -0.0671 0.0503 129 ASN B O 3520 C CB . ASN B 129 ? 1.0148 1.1094 0.6278 0.0067 -0.0789 0.0289 129 ASN B CB 3521 C CG . ASN B 129 ? 1.0974 1.1714 0.6772 0.0032 -0.0864 0.0185 129 ASN B CG 3522 O OD1 . ASN B 129 ? 1.2054 1.2731 0.7623 0.0120 -0.0839 0.0104 129 ASN B OD1 3523 N ND2 . ASN B 129 ? 1.1407 1.2050 0.7146 -0.0107 -0.0963 0.0186 129 ASN B ND2 3524 N N . ALA B 130 ? 1.0369 1.1586 0.6903 0.0200 -0.0548 0.0380 130 ALA B N 3525 C CA . ALA B 130 ? 1.0013 1.1278 0.6737 0.0164 -0.0511 0.0491 130 ALA B CA 3526 C C . ALA B 130 ? 1.0063 1.1442 0.6837 0.0180 -0.0410 0.0475 130 ALA B C 3527 O O . ALA B 130 ? 0.9629 1.1096 0.6339 0.0255 -0.0367 0.0367 130 ALA B O 3528 C CB . ALA B 130 ? 1.0368 1.1526 0.7263 0.0160 -0.0559 0.0511 130 ALA B CB 3529 N N . GLU B 131 ? 1.0714 1.2090 0.7577 0.0115 -0.0379 0.0581 131 GLU B N 3530 C CA . GLU B 131 ? 1.1155 1.2675 0.8039 0.0067 -0.0288 0.0592 131 GLU B CA 3531 C C . GLU B 131 ? 1.1143 1.2529 0.8188 0.0048 -0.0278 0.0640 131 GLU B C 3532 O O . GLU B 131 ? 1.1407 1.2598 0.8476 0.0042 -0.0333 0.0723 131 GLU B O 3533 C CB . GLU B 131 ? 1.2291 1.3875 0.9004 -0.0056 -0.0269 0.0697 131 GLU B CB 3534 C CG . GLU B 131 ? 1.3356 1.5210 1.0017 -0.0158 -0.0173 0.0698 131 GLU B CG 3535 C CD . GLU B 131 ? 1.3083 1.5238 0.9597 -0.0159 -0.0139 0.0646 131 GLU B CD 3536 O OE1 . GLU B 131 ? 1.3622 1.5680 1.0013 -0.0147 -0.0194 0.0669 131 GLU B OE1 3537 O OE2 . GLU B 131 ? 1.4371 1.6892 1.0890 -0.0161 -0.0058 0.0581 131 GLU B OE2 3538 N N . ASP B 132 ? 1.1105 1.2615 0.8245 0.0058 -0.0211 0.0583 132 ASP B N 3539 C CA . ASP B 132 ? 1.0401 1.1800 0.7673 0.0022 -0.0191 0.0628 132 ASP B CA 3540 C C . ASP B 132 ? 1.0135 1.1528 0.7270 -0.0146 -0.0155 0.0744 132 ASP B C 3541 O O . ASP B 132 ? 1.0568 1.2232 0.7631 -0.0244 -0.0087 0.0734 132 ASP B O 3542 C CB . ASP B 132 ? 1.0331 1.1888 0.7728 0.0099 -0.0140 0.0516 132 ASP B CB 3543 C CG . ASP B 132 ? 1.0067 1.1547 0.7604 0.0057 -0.0112 0.0549 132 ASP B CG 3544 O OD1 . ASP B 132 ? 1.0045 1.1303 0.7579 -0.0014 -0.0135 0.0649 132 ASP B OD1 3545 O OD2 . ASP B 132 ? 0.9936 1.1572 0.7561 0.0123 -0.0070 0.0463 132 ASP B OD2 3546 N N . MET B 133 ? 0.9699 1.0782 0.6755 -0.0181 -0.0207 0.0852 133 MET B N 3547 C CA . MET B 133 ? 1.0167 1.1096 0.6981 -0.0355 -0.0195 0.0971 133 MET B CA 3548 C C . MET B 133 ? 0.9961 1.0883 0.6790 -0.0477 -0.0139 0.0986 133 MET B C 3549 O O . MET B 133 ? 0.9700 1.0516 0.6282 -0.0679 -0.0123 0.1078 133 MET B O 3550 C CB . MET B 133 ? 1.0961 1.1489 0.7608 -0.0304 -0.0284 0.1075 133 MET B CB 3551 C CG . MET B 133 ? 1.1623 1.2192 0.8263 -0.0188 -0.0349 0.1065 133 MET B CG 3552 S SD . MET B 133 ? 1.3700 1.3868 0.9971 -0.0188 -0.0439 0.1216 133 MET B SD 3553 C CE . MET B 133 ? 1.3812 1.3990 1.0266 0.0065 -0.0534 0.1189 133 MET B CE 3554 N N . GLY B 134 ? 0.9975 1.0981 0.7059 -0.0375 -0.0117 0.0903 134 GLY B N 3555 C CA . GLY B 134 ? 1.0219 1.1327 0.7352 -0.0485 -0.0056 0.0895 134 GLY B CA 3556 C C . GLY B 134 ? 1.0293 1.1025 0.7417 -0.0483 -0.0087 0.0948 134 GLY B C 3557 O O . GLY B 134 ? 0.9829 1.0619 0.7006 -0.0569 -0.0043 0.0937 134 GLY B O 3558 N N . ASP B 135 ? 1.0804 1.1188 0.7852 -0.0370 -0.0166 0.1001 135 ASP B N 3559 C CA . ASP B 135 ? 1.1303 1.1290 0.8276 -0.0316 -0.0211 0.1056 135 ASP B CA 3560 C C . ASP B 135 ? 1.0503 1.0498 0.7717 -0.0083 -0.0259 0.1003 135 ASP B C 3561 O O . ASP B 135 ? 0.9816 0.9538 0.6946 0.0035 -0.0320 0.1050 135 ASP B O 3562 C CB . ASP B 135 ? 1.2085 1.1629 0.8637 -0.0381 -0.0274 0.1183 135 ASP B CB 3563 C CG . ASP B 135 ? 1.3020 1.2541 0.9493 -0.0255 -0.0340 0.1210 135 ASP B CG 3564 O OD1 . ASP B 135 ? 1.2904 1.2785 0.9584 -0.0210 -0.0322 0.1142 135 ASP B OD1 3565 O OD2 . ASP B 135 ? 1.4128 1.3240 1.0288 -0.0192 -0.0417 0.1300 135 ASP B OD2 3566 N N . GLY B 136 ? 0.9992 1.0307 0.7464 -0.0020 -0.0237 0.0903 136 GLY B N 3567 C CA . GLY B 136 ? 0.9832 1.0196 0.7493 0.0135 -0.0286 0.0856 136 GLY B CA 3568 C C . GLY B 136 ? 1.0122 1.0509 0.7714 0.0210 -0.0356 0.0883 136 GLY B C 3569 O O . GLY B 136 ? 1.0068 1.0545 0.7798 0.0308 -0.0404 0.0853 136 GLY B O 3570 N N . CYS B 137 ? 1.0407 1.0751 0.7783 0.0149 -0.0366 0.0939 137 CYS B N 3571 C CA . CYS B 137 ? 1.0322 1.0718 0.7628 0.0218 -0.0435 0.0962 137 CYS B CA 3572 C C . CYS B 137 ? 0.9735 1.0352 0.7043 0.0157 -0.0414 0.0902 137 CYS B C 3573 O O . CYS B 137 ? 0.9636 1.0358 0.6920 0.0064 -0.0345 0.0866 137 CYS B O 3574 C CB . CYS B 137 ? 1.1475 1.1594 0.8476 0.0237 -0.0487 0.1079 137 CYS B CB 3575 S SG . CYS B 137 ? 1.3754 1.3529 1.0648 0.0380 -0.0536 0.1143 137 CYS B SG 3576 N N . PHE B 138 ? 0.9656 1.0374 0.6977 0.0218 -0.0478 0.0887 138 PHE B N 3577 C CA . PHE B 138 ? 0.9607 1.0481 0.6875 0.0178 -0.0477 0.0831 138 PHE B CA 3578 C C . PHE B 138 ? 1.0319 1.1162 0.7390 0.0179 -0.0530 0.0911 138 PHE B C 3579 O O . PHE B 138 ? 1.0262 1.1054 0.7310 0.0264 -0.0603 0.0972 138 PHE B O 3580 C CB . PHE B 138 ? 0.9370 1.0353 0.6761 0.0212 -0.0521 0.0743 138 PHE B CB 3581 C CG . PHE B 138 ? 0.9528 1.0506 0.7053 0.0212 -0.0479 0.0652 138 PHE B CG 3582 C CD1 . PHE B 138 ? 0.9572 1.0588 0.7041 0.0205 -0.0421 0.0568 138 PHE B CD1 3583 C CD2 . PHE B 138 ? 0.9075 1.0030 0.6757 0.0238 -0.0500 0.0646 138 PHE B CD2 3584 C CE1 . PHE B 138 ? 0.9241 1.0227 0.6790 0.0237 -0.0394 0.0482 138 PHE B CE1 3585 C CE2 . PHE B 138 ? 0.8957 0.9873 0.6727 0.0235 -0.0468 0.0566 138 PHE B CE2 3586 C CZ . PHE B 138 ? 0.9139 1.0047 0.6832 0.0242 -0.0418 0.0485 138 PHE B CZ 3587 N N . LYS B 139 ? 1.1315 1.2219 0.8233 0.0099 -0.0496 0.0909 139 LYS B N 3588 C CA . LYS B 139 ? 1.0980 1.1878 0.7698 0.0089 -0.0547 0.0970 139 LYS B CA 3589 C C . LYS B 139 ? 1.0584 1.1663 0.7340 0.0108 -0.0579 0.0880 139 LYS B C 3590 O O . LYS B 139 ? 1.0359 1.1544 0.7123 0.0084 -0.0528 0.0782 139 LYS B O 3591 C CB . LYS B 139 ? 1.1803 1.2674 0.8300 -0.0037 -0.0491 0.1024 139 LYS B CB 3592 C CG . LYS B 139 ? 1.2523 1.3300 0.8759 -0.0058 -0.0549 0.1118 139 LYS B CG 3593 C CD . LYS B 139 ? 1.3491 1.4229 0.9474 -0.0234 -0.0491 0.1184 139 LYS B CD 3594 C CE . LYS B 139 ? 1.4252 1.5012 0.9994 -0.0277 -0.0527 0.1235 139 LYS B CE 3595 N NZ . LYS B 139 ? 1.4757 1.5579 1.0264 -0.0489 -0.0458 0.1285 139 LYS B NZ 3596 N N . ILE B 140 ? 1.0697 1.1810 0.7446 0.0162 -0.0669 0.0908 140 ILE B N 3597 C CA . ILE B 140 ? 1.0596 1.1845 0.7340 0.0146 -0.0719 0.0830 140 ILE B CA 3598 C C . ILE B 140 ? 1.0917 1.2207 0.7453 0.0124 -0.0755 0.0876 140 ILE B C 3599 O O . ILE B 140 ? 1.0708 1.1967 0.7156 0.0170 -0.0809 0.0980 140 ILE B O 3600 C CB . ILE B 140 ? 1.0604 1.1957 0.7490 0.0180 -0.0800 0.0828 140 ILE B CB 3601 C CG1 . ILE B 140 ? 1.0950 1.2257 0.8030 0.0193 -0.0762 0.0788 140 ILE B CG1 3602 C CG2 . ILE B 140 ? 1.0706 1.2171 0.7526 0.0106 -0.0864 0.0754 140 ILE B CG2 3603 C CD1 . ILE B 140 ? 1.1096 1.2564 0.8322 0.0209 -0.0831 0.0791 140 ILE B CD1 3604 N N . TYR B 141 ? 1.1148 1.2492 0.7573 0.0077 -0.0731 0.0795 141 TYR B N 3605 C CA . TYR B 141 ? 1.1347 1.2740 0.7562 0.0046 -0.0751 0.0831 141 TYR B CA 3606 C C . TYR B 141 ? 1.1383 1.2863 0.7541 0.0045 -0.0858 0.0831 141 TYR B C 3607 O O . TYR B 141 ? 1.1905 1.3427 0.7904 0.0007 -0.0874 0.0780 141 TYR B O 3608 C CB . TYR B 141 ? 1.1376 1.2832 0.7472 0.0017 -0.0674 0.0741 141 TYR B CB 3609 C CG . TYR B 141 ? 1.1516 1.3006 0.7625 -0.0016 -0.0570 0.0767 141 TYR B CG 3610 C CD1 . TYR B 141 ? 1.1783 1.3282 0.7730 -0.0100 -0.0544 0.0873 141 TYR B CD1 3611 C CD2 . TYR B 141 ? 1.1529 1.3046 0.7780 0.0014 -0.0505 0.0690 141 TYR B CD2 3612 C CE1 . TYR B 141 ? 1.1723 1.3282 0.7643 -0.0189 -0.0455 0.0905 141 TYR B CE1 3613 C CE2 . TYR B 141 ? 1.1724 1.3341 0.7984 -0.0042 -0.0413 0.0716 141 TYR B CE2 3614 C CZ . TYR B 141 ? 1.1871 1.3522 0.7963 -0.0162 -0.0389 0.0825 141 TYR B CZ 3615 O OH . TYR B 141 ? 1.1838 1.3612 0.7894 -0.0278 -0.0305 0.0862 141 TYR B OH 3616 N N . HIS B 142 ? 1.1451 1.2996 0.7725 0.0089 -0.0934 0.0885 142 HIS B N 3617 C CA . HIS B 142 ? 1.1415 1.3137 0.7633 0.0078 -0.1040 0.0903 142 HIS B CA 3618 C C . HIS B 142 ? 1.1555 1.3445 0.7897 0.0172 -0.1117 0.0982 142 HIS B C 3619 O O . HIS B 142 ? 1.1727 1.3577 0.8218 0.0244 -0.1093 0.1004 142 HIS B O 3620 C CB . HIS B 142 ? 1.1628 1.3396 0.7815 -0.0032 -0.1073 0.0784 142 HIS B CB 3621 C CG . HIS B 142 ? 1.1536 1.3254 0.7874 -0.0067 -0.1058 0.0714 142 HIS B CG 3622 N ND1 . HIS B 142 ? 1.1657 1.3564 0.8158 -0.0086 -0.1119 0.0740 142 HIS B ND1 3623 C CD2 . HIS B 142 ? 1.1362 1.2882 0.7686 -0.0085 -0.0995 0.0616 142 HIS B CD2 3624 C CE1 . HIS B 142 ? 1.1045 1.2839 0.7622 -0.0140 -0.1091 0.0668 142 HIS B CE1 3625 N NE2 . HIS B 142 ? 1.0983 1.2516 0.7445 -0.0129 -0.1021 0.0592 142 HIS B NE2 3626 N N . LYS B 143 ? 1.2358 1.4471 0.8627 0.0186 -0.1214 0.1020 143 LYS B N 3627 C CA . LYS B 143 ? 1.2393 1.4795 0.8773 0.0302 -0.1300 0.1081 143 LYS B CA 3628 C C . LYS B 143 ? 1.2173 1.4755 0.8774 0.0221 -0.1301 0.1010 143 LYS B C 3629 O O . LYS B 143 ? 1.2163 1.4840 0.8751 0.0041 -0.1326 0.0930 143 LYS B O 3630 C CB . LYS B 143 ? 1.1706 1.4411 0.7974 0.0305 -0.1408 0.1116 143 LYS B CB 3631 N N . CYS B 144 ? 1.1949 1.4528 0.8705 0.0343 -0.1276 0.1039 144 CYS B N 3632 C CA . CYS B 144 ? 1.2186 1.4944 0.9146 0.0265 -0.1273 0.0981 144 CYS B CA 3633 C C . CYS B 144 ? 1.1647 1.4770 0.8741 0.0447 -0.1333 0.1043 144 CYS B C 3634 O O . CYS B 144 ? 1.1640 1.4616 0.8786 0.0621 -0.1297 0.1081 144 CYS B O 3635 C CB . CYS B 144 ? 1.1959 1.4358 0.8985 0.0229 -0.1167 0.0929 144 CYS B CB 3636 S SG . CYS B 144 ? 1.3912 1.6365 1.1092 0.0060 -0.1152 0.0831 144 CYS B SG 3637 N N . ASP B 145 ? 1.1380 1.4997 0.8500 0.0411 -0.1428 0.1051 145 ASP B N 3638 C CA . ASP B 145 ? 1.1340 1.5470 0.8598 0.0590 -0.1495 0.1094 145 ASP B CA 3639 C C . ASP B 145 ? 1.0955 1.5264 0.8439 0.0529 -0.1460 0.1049 145 ASP B C 3640 O O . ASP B 145 ? 1.0686 1.4708 0.8206 0.0329 -0.1395 0.0985 145 ASP B O 3641 C CB . ASP B 145 ? 1.1357 1.6079 0.8590 0.0535 -0.1608 0.1109 145 ASP B CB 3642 C CG . ASP B 145 ? 1.1525 1.6470 0.8781 0.0157 -0.1634 0.1034 145 ASP B CG 3643 O OD1 . ASP B 145 ? 1.1338 1.5866 0.8554 -0.0050 -0.1570 0.0966 145 ASP B OD1 3644 O OD2 . ASP B 145 ? 1.1987 1.7523 0.9256 0.0065 -0.1728 0.1044 145 ASP B OD2 3645 N N . ASN B 146 ? 1.0790 1.5583 0.8405 0.0724 -0.1506 0.1081 146 ASN B N 3646 C CA . ASN B 146 ? 1.0292 1.5295 0.8116 0.0689 -0.1472 0.1045 146 ASN B CA 3647 C C . ASN B 146 ? 1.0526 1.5679 0.8412 0.0296 -0.1471 0.0976 146 ASN B C 3648 O O . ASN B 146 ? 1.1185 1.6083 0.9144 0.0178 -0.1406 0.0931 146 ASN B O 3649 C CB . ASN B 146 ? 0.9947 1.5602 0.7886 0.0959 -0.1537 0.1081 146 ASN B CB 3650 C CG . ASN B 146 ? 1.0105 1.5449 0.7913 0.1384 -0.1537 0.1140 146 ASN B CG 3651 O OD1 . ASN B 146 ? 1.0026 1.4665 0.7705 0.1430 -0.1470 0.1153 146 ASN B OD1 3652 N ND2 . ASN B 146 ? 1.0293 1.6165 0.8091 0.1696 -0.1621 0.1176 146 ASN B ND2 3653 N N . ALA B 147 ? 1.1006 1.6519 0.8817 0.0081 -0.1550 0.0968 147 ALA B N 3654 C CA . ALA B 147 ? 1.1215 1.6739 0.8965 -0.0332 -0.1567 0.0903 147 ALA B CA 3655 C C . ALA B 147 ? 1.0914 1.5636 0.8513 -0.0467 -0.1490 0.0840 147 ALA B C 3656 O O . ALA B 147 ? 1.0822 1.5370 0.8398 -0.0684 -0.1470 0.0787 147 ALA B O 3657 C CB . ALA B 147 ? 1.1426 1.7335 0.9034 -0.0546 -0.1669 0.0908 147 ALA B CB 3658 N N . CYS B 148 ? 1.0636 1.4904 0.8111 -0.0327 -0.1452 0.0848 148 CYS B N 3659 C CA . CYS B 148 ? 1.0906 1.4508 0.8235 -0.0394 -0.1378 0.0787 148 CYS B CA 3660 C C . CYS B 148 ? 1.0531 1.3854 0.8009 -0.0277 -0.1283 0.0774 148 CYS B C 3661 O O . CYS B 148 ? 0.9881 1.2855 0.7299 -0.0408 -0.1242 0.0705 148 CYS B O 3662 C CB . CYS B 148 ? 1.1383 1.4730 0.8565 -0.0257 -0.1362 0.0814 148 CYS B CB 3663 S SG . CYS B 148 ? 1.2582 1.5259 0.9602 -0.0243 -0.1260 0.0753 148 CYS B SG 3664 N N . ILE B 149 ? 0.9956 1.3406 0.7589 -0.0020 -0.1258 0.0839 149 ILE B N 3665 C CA . ILE B 149 ? 1.0212 1.3449 0.7982 0.0085 -0.1179 0.0833 149 ILE B CA 3666 C C . ILE B 149 ? 0.9645 1.3137 0.7550 -0.0068 -0.1191 0.0795 149 ILE B C 3667 O O . ILE B 149 ? 0.9470 1.2669 0.7412 -0.0122 -0.1130 0.0752 149 ILE B O 3668 C CB . ILE B 149 ? 1.0634 1.3924 0.8468 0.0393 -0.1170 0.0911 149 ILE B CB 3669 C CG1 . ILE B 149 ? 1.0751 1.3698 0.8392 0.0511 -0.1158 0.0958 149 ILE B CG1 3670 C CG2 . ILE B 149 ? 1.0349 1.3434 0.8308 0.0479 -0.1097 0.0900 149 ILE B CG2 3671 C CD1 . ILE B 149 ? 1.0668 1.3092 0.8243 0.0474 -0.1060 0.0935 149 ILE B CD1 3672 N N . GLU B 150 ? 0.9812 1.3885 0.7779 -0.0146 -0.1270 0.0814 150 GLU B N 3673 C CA . GLU B 150 ? 1.0444 1.4818 0.8492 -0.0369 -0.1292 0.0783 150 GLU B CA 3674 C C . GLU B 150 ? 1.0733 1.4652 0.8563 -0.0687 -0.1292 0.0709 150 GLU B C 3675 O O . GLU B 150 ? 1.0407 1.4171 0.8249 -0.0813 -0.1265 0.0672 150 GLU B O 3676 C CB . GLU B 150 ? 1.1239 1.6407 0.9353 -0.0443 -0.1387 0.0818 150 GLU B CB 3677 C CG . GLU B 150 ? 1.1886 1.7584 1.0151 -0.0592 -0.1403 0.0812 150 GLU B CG 3678 C CD . GLU B 150 ? 1.2751 1.8495 1.0835 -0.1061 -0.1460 0.0772 150 GLU B CD 3679 O OE1 . GLU B 150 ? 1.3863 1.9001 1.1683 -0.1246 -0.1466 0.0728 150 GLU B OE1 3680 O OE2 . GLU B 150 ? 1.2698 1.9079 1.0867 -0.1251 -0.1504 0.0784 150 GLU B OE2 3681 N N . SER B 151 ? 1.0992 1.4652 0.8582 -0.0797 -0.1327 0.0683 151 SER B N 3682 C CA . SER B 151 ? 1.1015 1.4168 0.8306 -0.1055 -0.1342 0.0603 151 SER B CA 3683 C C . SER B 151 ? 1.0292 1.2864 0.7568 -0.0933 -0.1249 0.0553 151 SER B C 3684 O O . SER B 151 ? 0.9836 1.2047 0.6918 -0.1102 -0.1258 0.0490 151 SER B O 3685 C CB . SER B 151 ? 1.0864 1.3828 0.7867 -0.1151 -0.1398 0.0578 151 SER B CB 3686 O OG . SER B 151 ? 1.0727 1.3323 0.7703 -0.0918 -0.1329 0.0567 151 SER B OG 3687 N N . ILE B 152 ? 1.0012 1.2490 0.7451 -0.0652 -0.1169 0.0582 152 ILE B N 3688 C CA . ILE B 152 ? 1.0314 1.2345 0.7765 -0.0532 -0.1077 0.0540 152 ILE B CA 3689 C C . ILE B 152 ? 1.0247 1.2345 0.7889 -0.0526 -0.1042 0.0544 152 ILE B C 3690 O O . ILE B 152 ? 0.9861 1.1606 0.7425 -0.0566 -0.1008 0.0486 152 ILE B O 3691 C CB . ILE B 152 ? 1.0338 1.2276 0.7873 -0.0287 -0.1005 0.0581 152 ILE B CB 3692 C CG1 . ILE B 152 ? 1.0404 1.2189 0.7719 -0.0295 -0.1021 0.0561 152 ILE B CG1 3693 C CG2 . ILE B 152 ? 1.0435 1.2060 0.8036 -0.0183 -0.0911 0.0551 152 ILE B CG2 3694 C CD1 . ILE B 152 ? 1.0250 1.2051 0.7613 -0.0111 -0.0976 0.0628 152 ILE B CD1 3695 N N . ARG B 153 ? 1.0359 1.2919 0.8231 -0.0453 -0.1054 0.0609 153 ARG B N 3696 C CA . ARG B 153 ? 1.0054 1.2758 0.8109 -0.0448 -0.1026 0.0614 153 ARG B CA 3697 C C . ARG B 153 ? 1.0351 1.3082 0.8284 -0.0753 -0.1078 0.0571 153 ARG B C 3698 O O . ARG B 153 ? 1.0866 1.3440 0.8839 -0.0792 -0.1042 0.0546 153 ARG B O 3699 C CB . ARG B 153 ? 0.9980 1.3225 0.8259 -0.0272 -0.1040 0.0684 153 ARG B CB 3700 C CG . ARG B 153 ? 1.0209 1.3357 0.8526 0.0026 -0.1007 0.0737 153 ARG B CG 3701 C CD . ARG B 153 ? 1.0495 1.4090 0.8960 0.0261 -0.1032 0.0795 153 ARG B CD 3702 N NE . ARG B 153 ? 1.0443 1.4717 0.8989 0.0169 -0.1109 0.0805 153 ARG B NE 3703 C CZ . ARG B 153 ? 1.1320 1.6056 0.9853 0.0272 -0.1182 0.0847 153 ARG B CZ 3704 N NH1 . ARG B 153 ? 1.1382 1.5932 0.9799 0.0480 -0.1197 0.0889 153 ARG B NH1 3705 N NH2 . ARG B 153 ? 1.1827 1.7260 1.0450 0.0152 -0.1247 0.0849 153 ARG B NH2 3706 N N . THR B 154 ? 1.0608 1.3514 0.8356 -0.0988 -0.1167 0.0567 154 THR B N 3707 C CA . THR B 154 ? 1.1408 1.4305 0.8950 -0.1341 -0.1234 0.0537 154 THR B CA 3708 C C . THR B 154 ? 1.1757 1.3916 0.8892 -0.1492 -0.1257 0.0457 154 THR B C 3709 O O . THR B 154 ? 1.2794 1.4775 0.9640 -0.1801 -0.1326 0.0430 154 THR B O 3710 C CB . THR B 154 ? 1.2338 1.5797 0.9811 -0.1584 -0.1336 0.0572 154 THR B CB 3711 O OG1 . THR B 154 ? 1.2667 1.6779 1.0456 -0.1349 -0.1326 0.0637 154 THR B OG1 3712 C CG2 . THR B 154 ? 1.2826 1.6520 1.0178 -0.1966 -0.1398 0.0571 154 THR B CG2 3713 N N . GLY B 155 ? 1.1513 1.3242 0.8574 -0.1278 -0.1207 0.0420 155 GLY B N 3714 C CA . GLY B 155 ? 1.1471 1.2518 0.8112 -0.1345 -0.1232 0.0331 155 GLY B CA 3715 C C . GLY B 155 ? 1.1567 1.2428 0.7797 -0.1564 -0.1335 0.0298 155 GLY B C 3716 O O . GLY B 155 ? 1.2028 1.2279 0.7819 -0.1647 -0.1380 0.0219 155 GLY B O 3717 N N . THR B 156 ? 1.0925 1.2279 0.7257 -0.1636 -0.1379 0.0354 156 THR B N 3718 C CA . THR B 156 ? 1.1652 1.2878 0.7601 -0.1861 -0.1481 0.0328 156 THR B CA 3719 C C . THR B 156 ? 1.1717 1.2821 0.7612 -0.1652 -0.1459 0.0309 156 THR B C 3720 O O . THR B 156 ? 1.1533 1.2501 0.7099 -0.1810 -0.1540 0.0282 156 THR B O 3721 C CB . THR B 156 ? 1.1919 1.3827 0.7958 -0.2139 -0.1564 0.0399 156 THR B CB 3722 O OG1 . THR B 156 ? 1.1569 1.4139 0.8051 -0.1903 -0.1520 0.0475 156 THR B OG1 3723 C CG2 . THR B 156 ? 1.2193 1.4277 0.8260 -0.2379 -0.1585 0.0418 156 THR B CG2 3724 N N . TYR B 157 ? 1.1301 1.2444 0.7486 -0.1323 -0.1354 0.0325 157 TYR B N 3725 C CA . TYR B 157 ? 1.1277 1.2384 0.7441 -0.1137 -0.1323 0.0322 157 TYR B CA 3726 C C . TYR B 157 ? 1.1749 1.2271 0.7456 -0.1142 -0.1349 0.0217 157 TYR B C 3727 O O . TYR B 157 ? 1.1913 1.2013 0.7485 -0.1022 -0.1305 0.0145 157 TYR B O 3728 C CB . TYR B 157 ? 1.0927 1.2136 0.7436 -0.0835 -0.1206 0.0362 157 TYR B CB 3729 C CG . TYR B 157 ? 1.1245 1.2377 0.7721 -0.0649 -0.1155 0.0361 157 TYR B CG 3730 C CD1 . TYR B 157 ? 1.1695 1.3174 0.8296 -0.0585 -0.1167 0.0442 157 TYR B CD1 3731 C CD2 . TYR B 157 ? 1.1444 1.2193 0.7758 -0.0523 -0.1095 0.0281 157 TYR B CD2 3732 C CE1 . TYR B 157 ? 1.1108 1.2513 0.7655 -0.0443 -0.1121 0.0450 157 TYR B CE1 3733 C CE2 . TYR B 157 ? 1.1623 1.2379 0.7912 -0.0375 -0.1043 0.0283 157 TYR B CE2 3734 C CZ . TYR B 157 ? 1.1274 1.2339 0.7673 -0.0354 -0.1055 0.0371 157 TYR B CZ 3735 O OH . TYR B 157 ? 1.0849 1.1906 0.7189 -0.0238 -0.1004 0.0378 157 TYR B OH 3736 N N . ASP B 158 ? 1.2524 1.3044 0.7981 -0.1255 -0.1422 0.0206 158 ASP B N 3737 C CA . ASP B 158 ? 1.2876 1.2839 0.7848 -0.1241 -0.1457 0.0100 158 ASP B CA 3738 C C . ASP B 158 ? 1.2670 1.2726 0.7771 -0.0964 -0.1371 0.0100 158 ASP B C 3739 O O . ASP B 158 ? 1.3305 1.3734 0.8559 -0.0957 -0.1376 0.0168 158 ASP B O 3740 C CB . ASP B 158 ? 1.3191 1.3077 0.7770 -0.1549 -0.1591 0.0085 158 ASP B CB 3741 C CG . ASP B 158 ? 1.4210 1.3463 0.8215 -0.1521 -0.1640 -0.0031 158 ASP B CG 3742 O OD1 . ASP B 158 ? 1.4138 1.3037 0.8050 -0.1248 -0.1569 -0.0110 158 ASP B OD1 3743 O OD2 . ASP B 158 ? 1.4285 1.3420 0.7917 -0.1764 -0.1751 -0.0049 158 ASP B OD2 3744 N N . HIS B 159 ? 1.2347 1.2096 0.7372 -0.0740 -0.1295 0.0025 159 HIS B N 3745 C CA . HIS B 159 ? 1.2082 1.2010 0.7270 -0.0503 -0.1199 0.0037 159 HIS B CA 3746 C C . HIS B 159 ? 1.2535 1.2324 0.7374 -0.0486 -0.1238 -0.0020 159 HIS B C 3747 O O . HIS B 159 ? 1.1844 1.1902 0.6825 -0.0380 -0.1183 0.0023 159 HIS B O 3748 C CB . HIS B 159 ? 1.1672 1.1456 0.6934 -0.0279 -0.1098 -0.0017 159 HIS B CB 3749 C CG . HIS B 159 ? 1.2273 1.1579 0.7074 -0.0163 -0.1120 -0.0161 159 HIS B CG 3750 N ND1 . HIS B 159 ? 1.2347 1.1665 0.7014 0.0045 -0.1065 -0.0227 159 HIS B ND1 3751 C CD2 . HIS B 159 ? 1.2723 1.1504 0.7104 -0.0220 -0.1203 -0.0256 159 HIS B CD2 3752 C CE1 . HIS B 159 ? 1.2950 1.1787 0.7144 0.0156 -0.1111 -0.0364 159 HIS B CE1 3753 N NE2 . HIS B 159 ? 1.3469 1.1921 0.7455 -0.0003 -0.1200 -0.0383 159 HIS B NE2 3754 N N . TYR B 160 ? 1.3462 1.2799 0.7807 -0.0601 -0.1337 -0.0116 160 TYR B N 3755 C CA . TYR B 160 ? 1.3802 1.2948 0.7756 -0.0578 -0.1382 -0.0186 160 TYR B CA 3756 C C . TYR B 160 ? 1.3298 1.2878 0.7424 -0.0711 -0.1413 -0.0085 160 TYR B C 3757 O O . TYR B 160 ? 1.3283 1.2950 0.7331 -0.0613 -0.1392 -0.0096 160 TYR B O 3758 C CB . TYR B 160 ? 1.5075 1.3567 0.8383 -0.0715 -0.1507 -0.0302 160 TYR B CB 3759 C CG . TYR B 160 ? 1.6784 1.4742 0.9770 -0.0492 -0.1487 -0.0430 160 TYR B CG 3760 C CD1 . TYR B 160 ? 1.7722 1.5537 1.0490 -0.0176 -0.1433 -0.0537 160 TYR B CD1 3761 C CD2 . TYR B 160 ? 1.7563 1.5197 1.0451 -0.0578 -0.1524 -0.0445 160 TYR B CD2 3762 C CE1 . TYR B 160 ? 1.8296 1.5678 1.0756 0.0079 -0.1420 -0.0662 160 TYR B CE1 3763 C CE2 . TYR B 160 ? 1.8389 1.5520 1.0950 -0.0341 -0.1515 -0.0563 160 TYR B CE2 3764 C CZ . TYR B 160 ? 1.8542 1.5558 1.0890 0.0004 -0.1465 -0.0674 160 TYR B CZ 3765 O OH . TYR B 160 ? 1.8456 1.5030 1.0470 0.0287 -0.1461 -0.0797 160 TYR B OH 3766 N N . ILE B 161 ? 1.3118 1.3003 0.7471 -0.0922 -0.1466 0.0009 161 ILE B N 3767 C CA . ILE B 161 ? 1.3040 1.3397 0.7564 -0.1035 -0.1512 0.0110 161 ILE B CA 3768 C C . ILE B 161 ? 1.2609 1.3313 0.7446 -0.0814 -0.1419 0.0187 161 ILE B C 3769 O O . ILE B 161 ? 1.3047 1.3904 0.7801 -0.0821 -0.1447 0.0215 161 ILE B O 3770 C CB . ILE B 161 ? 1.3058 1.3798 0.7843 -0.1233 -0.1565 0.0198 161 ILE B CB 3771 C CG1 . ILE B 161 ? 1.3837 1.4351 0.8214 -0.1573 -0.1698 0.0149 161 ILE B CG1 3772 C CG2 . ILE B 161 ? 1.2805 1.4165 0.7930 -0.1199 -0.1572 0.0321 161 ILE B CG2 3773 C CD1 . ILE B 161 ? 1.4191 1.4991 0.8753 -0.1788 -0.1738 0.0204 161 ILE B CD1 3774 N N . TYR B 162 ? 1.1885 1.2682 0.7040 -0.0642 -0.1316 0.0225 162 TYR B N 3775 C CA . TYR B 162 ? 1.1581 1.2646 0.6993 -0.0472 -0.1232 0.0312 162 TYR B CA 3776 C C . TYR B 162 ? 1.1387 1.2287 0.6672 -0.0308 -0.1139 0.0249 162 TYR B C 3777 O O . TYR B 162 ? 1.1152 1.2242 0.6590 -0.0208 -0.1068 0.0322 162 TYR B O 3778 C CB . TYR B 162 ? 1.1656 1.2910 0.7446 -0.0399 -0.1176 0.0396 162 TYR B CB 3779 C CG . TYR B 162 ? 1.2040 1.3577 0.7992 -0.0520 -0.1256 0.0461 162 TYR B CG 3780 C CD1 . TYR B 162 ? 1.2304 1.4206 0.8344 -0.0519 -0.1313 0.0557 162 TYR B CD1 3781 C CD2 . TYR B 162 ? 1.2064 1.3538 0.8054 -0.0633 -0.1281 0.0426 162 TYR B CD2 3782 C CE1 . TYR B 162 ? 1.2095 1.4367 0.8285 -0.0607 -0.1388 0.0609 162 TYR B CE1 3783 C CE2 . TYR B 162 ? 1.1719 1.3554 0.7858 -0.0758 -0.1352 0.0484 162 TYR B CE2 3784 C CZ . TYR B 162 ? 1.1531 1.3798 0.7780 -0.0735 -0.1404 0.0572 162 TYR B CZ 3785 O OH . TYR B 162 ? 1.1202 1.3929 0.7604 -0.0830 -0.1473 0.0623 162 TYR B OH 3786 N N . ARG B 163 ? 1.1773 1.2327 0.6744 -0.0276 -0.1144 0.0115 163 ARG B N 3787 C CA . ARG B 163 ? 1.2056 1.2541 0.6940 -0.0079 -0.1047 0.0042 163 ARG B CA 3788 C C . ARG B 163 ? 1.2272 1.2965 0.7087 -0.0032 -0.1015 0.0071 163 ARG B C 3789 O O . ARG B 163 ? 1.2296 1.3216 0.7275 0.0061 -0.0916 0.0118 163 ARG B O 3790 C CB . ARG B 163 ? 1.2496 1.2540 0.6980 -0.0008 -0.1079 -0.0119 163 ARG B CB 3791 C CG . ARG B 163 ? 1.2513 1.2560 0.6929 0.0241 -0.0977 -0.0211 163 ARG B CG 3792 C CD . ARG B 163 ? 1.3115 1.2660 0.7029 0.0357 -0.1037 -0.0380 163 ARG B CD 3793 N NE . ARG B 163 ? 1.2930 1.2534 0.6737 0.0647 -0.0949 -0.0487 163 ARG B NE 3794 C CZ . ARG B 163 ? 1.3317 1.2965 0.6839 0.0817 -0.0929 -0.0579 163 ARG B CZ 3795 N NH1 . ARG B 163 ? 1.3353 1.2941 0.6647 0.0723 -0.0989 -0.0579 163 ARG B NH1 3796 N NH2 . ARG B 163 ? 1.3711 1.3514 0.7175 0.1096 -0.0845 -0.0676 163 ARG B NH2 3797 N N . ASP B 164 ? 1.2228 1.2852 0.6783 -0.0122 -0.1100 0.0051 164 ASP B N 3798 C CA . ASP B 164 ? 1.2392 1.3203 0.6855 -0.0081 -0.1073 0.0077 164 ASP B CA 3799 C C . ASP B 164 ? 1.1771 1.2925 0.6556 -0.0106 -0.1033 0.0241 164 ASP B C 3800 O O . ASP B 164 ? 1.2008 1.3328 0.6814 -0.0038 -0.0952 0.0278 164 ASP B O 3801 C CB . ASP B 164 ? 1.2644 1.3309 0.6758 -0.0188 -0.1181 0.0028 164 ASP B CB 3802 C CG . ASP B 164 ? 1.3153 1.3362 0.6821 -0.0139 -0.1226 -0.0143 164 ASP B CG 3803 O OD1 . ASP B 164 ? 1.4334 1.4381 0.7971 0.0017 -0.1166 -0.0227 164 ASP B OD1 3804 O OD2 . ASP B 164 ? 1.3171 1.3152 0.6483 -0.0252 -0.1329 -0.0197 164 ASP B OD2 3805 N N . GLU B 165 ? 1.1305 1.2556 0.6304 -0.0196 -0.1092 0.0338 165 GLU B N 3806 C CA . GLU B 165 ? 1.1103 1.2592 0.6331 -0.0179 -0.1074 0.0490 165 GLU B CA 3807 C C . GLU B 165 ? 1.1132 1.2637 0.6529 -0.0090 -0.0958 0.0527 165 GLU B C 3808 O O . GLU B 165 ? 1.1180 1.2780 0.6578 -0.0074 -0.0914 0.0618 165 GLU B O 3809 C CB . GLU B 165 ? 1.0955 1.2580 0.6368 -0.0241 -0.1161 0.0568 165 GLU B CB 3810 C CG . GLU B 165 ? 1.0961 1.2759 0.6556 -0.0166 -0.1158 0.0716 165 GLU B CG 3811 C CD . GLU B 165 ? 1.1331 1.3355 0.7081 -0.0183 -0.1253 0.0777 165 GLU B CD 3812 O OE1 . GLU B 165 ? 1.2190 1.4261 0.7946 -0.0298 -0.1310 0.0710 165 GLU B OE1 3813 O OE2 . GLU B 165 ? 1.0992 1.3146 0.6824 -0.0079 -0.1276 0.0891 165 GLU B OE2 3814 N N . ALA B 166 ? 1.1269 1.2663 0.6773 -0.0055 -0.0916 0.0459 166 ALA B N 3815 C CA . ALA B 166 ? 1.1120 1.2552 0.6792 0.0006 -0.0812 0.0489 166 ALA B CA 3816 C C . ALA B 166 ? 1.1292 1.2810 0.6820 0.0058 -0.0722 0.0433 166 ALA B C 3817 O O . ALA B 166 ? 1.1637 1.3282 0.7240 0.0051 -0.0641 0.0498 166 ALA B O 3818 C CB . ALA B 166 ? 1.0656 1.1966 0.6476 0.0032 -0.0799 0.0428 166 ALA B CB 3819 N N . LEU B 167 ? 1.1881 1.3340 0.7168 0.0104 -0.0739 0.0310 167 LEU B N 3820 C CA . LEU B 167 ? 1.1869 1.3492 0.6985 0.0179 -0.0660 0.0246 167 LEU B CA 3821 C C . LEU B 167 ? 1.1869 1.3694 0.6938 0.0094 -0.0641 0.0363 167 LEU B C 3822 O O . LEU B 167 ? 1.2144 1.4204 0.7212 0.0084 -0.0547 0.0392 167 LEU B O 3823 C CB . LEU B 167 ? 1.2182 1.3635 0.6978 0.0272 -0.0706 0.0088 167 LEU B CB 3824 C CG . LEU B 167 ? 1.2393 1.3768 0.7044 0.0463 -0.0659 -0.0074 167 LEU B CG 3825 C CD1 . LEU B 167 ? 1.1989 1.3515 0.6903 0.0518 -0.0572 -0.0060 167 LEU B CD1 3826 C CD2 . LEU B 167 ? 1.2833 1.3750 0.7213 0.0494 -0.0767 -0.0191 167 LEU B CD2 3827 N N . ASN B 168 ? 1.1820 1.3573 0.6827 0.0018 -0.0733 0.0433 168 ASN B N 3828 C CA . ASN B 168 ? 1.1847 1.3733 0.6753 -0.0054 -0.0731 0.0546 168 ASN B CA 3829 C C . ASN B 168 ? 1.2043 1.3965 0.7083 -0.0115 -0.0683 0.0689 168 ASN B C 3830 O O . ASN B 168 ? 1.2444 1.4500 0.7373 -0.0184 -0.0619 0.0751 168 ASN B O 3831 C CB . ASN B 168 ? 1.1674 1.3490 0.6499 -0.0103 -0.0852 0.0598 168 ASN B CB 3832 C CG . ASN B 168 ? 1.1963 1.3697 0.6573 -0.0088 -0.0910 0.0464 168 ASN B CG 3833 O OD1 . ASN B 168 ? 1.1818 1.3539 0.6265 -0.0012 -0.0858 0.0337 168 ASN B OD1 3834 N ND2 . ASN B 168 ? 1.2441 1.4120 0.7015 -0.0156 -0.1026 0.0488 168 ASN B ND2 3835 N N . ASN B 169 ? 1.1903 1.3693 0.7146 -0.0103 -0.0714 0.0737 169 ASN B N 3836 C CA . ASN B 169 ? 1.2040 1.3764 0.7350 -0.0149 -0.0688 0.0872 169 ASN B CA 3837 C C . ASN B 169 ? 1.1788 1.3614 0.7152 -0.0185 -0.0572 0.0845 169 ASN B C 3838 O O . ASN B 169 ? 1.2190 1.4024 0.7455 -0.0292 -0.0527 0.0947 169 ASN B O 3839 C CB . ASN B 169 ? 1.2019 1.3596 0.7505 -0.0096 -0.0762 0.0925 169 ASN B CB 3840 C CG . ASN B 169 ? 1.2498 1.4082 0.7926 -0.0066 -0.0881 0.0968 169 ASN B CG 3841 O OD1 . ASN B 169 ? 1.3224 1.4843 0.8453 -0.0096 -0.0913 0.1013 169 ASN B OD1 3842 N ND2 . ASN B 169 ? 1.2810 1.4410 0.8408 -0.0017 -0.0949 0.0953 169 ASN B ND2 3843 N N . ARG B 170 ? 1.1408 1.3313 0.6890 -0.0105 -0.0528 0.0709 170 ARG B N 3844 C CA . ARG B 170 ? 1.1589 1.3676 0.7136 -0.0117 -0.0419 0.0671 170 ARG B CA 3845 C C . ARG B 170 ? 1.1664 1.4048 0.7019 -0.0190 -0.0349 0.0675 170 ARG B C 3846 O O . ARG B 170 ? 1.1287 1.3790 0.6593 -0.0338 -0.0289 0.0770 170 ARG B O 3847 C CB . ARG B 170 ? 1.1703 1.3809 0.7350 0.0028 -0.0400 0.0510 170 ARG B CB 3848 C CG . ARG B 170 ? 1.1444 1.3774 0.7197 0.0049 -0.0297 0.0465 170 ARG B CG 3849 C CD . ARG B 170 ? 1.1033 1.3267 0.6876 0.0213 -0.0303 0.0326 170 ARG B CD 3850 N NE . ARG B 170 ? 1.1221 1.3503 0.7270 0.0183 -0.0249 0.0359 170 ARG B NE 3851 C CZ . ARG B 170 ? 1.1732 1.3770 0.7948 0.0204 -0.0286 0.0365 170 ARG B CZ 3852 N NH1 . ARG B 170 ? 1.2306 1.4061 0.8514 0.0242 -0.0377 0.0338 170 ARG B NH1 3853 N NH2 . ARG B 170 ? 1.3011 1.5114 0.9392 0.0170 -0.0231 0.0396 170 ARG B NH2 3854 N N . PHE B 171 ? 1.1903 1.4388 0.7111 -0.0107 -0.0363 0.0575 171 PHE B N 3855 C CA . PHE B 171 ? 1.2147 1.4998 0.7185 -0.0128 -0.0286 0.0536 171 PHE B CA 3856 C C . PHE B 171 ? 1.2689 1.5569 0.7514 -0.0270 -0.0308 0.0649 171 PHE B C 3857 O O . PHE B 171 ? 1.3409 1.6582 0.8064 -0.0266 -0.0263 0.0596 171 PHE B O 3858 C CB . PHE B 171 ? 1.2189 1.5147 0.7134 0.0083 -0.0277 0.0343 171 PHE B CB 3859 C CG . PHE B 171 ? 1.2130 1.5221 0.7199 0.0221 -0.0216 0.0232 171 PHE B CG 3860 C CD1 . PHE B 171 ? 1.2365 1.5906 0.7494 0.0175 -0.0106 0.0241 171 PHE B CD1 3861 C CD2 . PHE B 171 ? 1.2222 1.5002 0.7327 0.0378 -0.0273 0.0126 171 PHE B CD2 3862 C CE1 . PHE B 171 ? 1.2442 1.6156 0.7692 0.0318 -0.0053 0.0140 171 PHE B CE1 3863 C CE2 . PHE B 171 ? 1.2603 1.5479 0.7797 0.0522 -0.0224 0.0027 171 PHE B CE2 3864 C CZ . PHE B 171 ? 1.2429 1.5788 0.7709 0.0510 -0.0113 0.0031 171 PHE B CZ 3865 N N . GLN B 172 ? 1.2850 1.5440 0.7657 -0.0380 -0.0378 0.0801 172 GLN B N 3866 C CA . GLN B 172 ? 1.3398 1.6000 0.7966 -0.0553 -0.0382 0.0941 172 GLN B CA 3867 C C . GLN B 172 ? 1.4670 1.7595 0.9143 -0.0737 -0.0268 0.0985 172 GLN B C 3868 O O . GLN B 172 ? 1.5206 1.7983 0.9478 -0.0940 -0.0280 0.1143 172 GLN B O 3869 C CB . GLN B 172 ? 1.3338 1.5529 0.7872 -0.0612 -0.0470 0.1101 172 GLN B CB 3870 C CG . GLN B 172 ? 1.3634 1.5598 0.8171 -0.0497 -0.0593 0.1116 172 GLN B CG 3871 C CD . GLN B 172 ? 1.3631 1.5242 0.8084 -0.0516 -0.0674 0.1277 172 GLN B CD 3872 O OE1 . GLN B 172 ? 1.4307 1.5769 0.8495 -0.0567 -0.0734 0.1391 172 GLN B OE1 3873 N NE2 . GLN B 172 ? 1.3300 1.4757 0.7939 -0.0460 -0.0679 0.1284 172 GLN B NE2 3874 N N . SER B 173 ? 1.4993 1.8352 0.9566 -0.0680 -0.0167 0.0857 173 SER B N 3875 C CA . SER B 173 ? 1.4890 1.8670 0.9386 -0.0890 -0.0058 0.0905 173 SER B CA 3876 C C . SER B 173 ? 1.4330 1.8807 0.8843 -0.0817 0.0058 0.0759 173 SER B C 3877 O O . SER B 173 ? 1.3604 1.8226 0.8144 -0.0555 0.0059 0.0594 173 SER B O 3878 C CB . SER B 173 ? 1.5112 1.8698 0.9721 -0.1017 -0.0047 0.0994 173 SER B CB 3879 O OG . SER B 173 ? 1.5708 1.9550 1.0131 -0.1324 0.0021 0.1102 173 SER B OG 3880 N N . GLY B 174 ? 1.4258 1.9152 0.8717 -0.1056 0.0148 0.0826 174 GLY B N 3881 C CA . GLY B 174 ? 1.4237 1.9907 0.8599 -0.1113 0.0258 0.0760 174 GLY B CA 3882 C C . GLY B 174 ? 1.4810 2.0548 0.8875 -0.1527 0.0275 0.0951 174 GLY B C 3883 O O . GLY B 174 ? 1.5845 2.0981 0.9735 -0.1651 0.0184 0.1091 174 GLY B O 3884 N N . ARG B 175 ? 1.4392 2.0857 0.8366 -0.1744 0.0384 0.0959 175 ARG B N 3885 C CA . ARG B 175 ? 1.4325 2.0885 0.7958 -0.2219 0.0405 0.1152 175 ARG B CA 3886 C C . ARG B 175 ? 1.4404 2.1525 0.8051 -0.2517 0.0500 0.1192 175 ARG B C 3887 O O . ARG B 175 ? 1.4880 2.2374 0.8244 -0.2920 0.0549 0.1307 175 ARG B O 3888 C CB . ARG B 175 ? 1.4619 2.0247 0.7994 -0.2418 0.0284 0.1352 175 ARG B CB 3889 C CG . ARG B 175 ? 1.5215 2.0808 0.8129 -0.2905 0.0286 0.1552 175 ARG B CG 3890 C C1 . NAG C . ? 1.7689 1.4588 1.3240 0.2476 0.0364 0.2081 601 NAG A C1 3891 C C2 . NAG C . ? 1.8287 1.5395 1.3826 0.2827 0.0335 0.2195 601 NAG A C2 3892 C C3 . NAG C . ? 1.9038 1.5594 1.4149 0.3104 0.0450 0.2347 601 NAG A C3 3893 C C4 . NAG C . ? 2.0400 1.6190 1.5138 0.2964 0.0589 0.2344 601 NAG A C4 3894 C C5 . NAG C . ? 2.0129 1.5912 1.4940 0.2594 0.0576 0.2244 601 NAG A C5 3895 C C6 . NAG C . ? 2.0369 1.5459 1.4837 0.2400 0.0708 0.2227 601 NAG A C6 3896 C C7 . NAG C . ? 1.7642 1.5803 1.3629 0.2732 0.0114 0.2148 601 NAG A C7 3897 C C8 . NAG C . ? 1.6665 1.5252 1.2667 0.2806 0.0019 0.2221 601 NAG A C8 3898 N N2 . NAG C . ? 1.8616 1.6220 1.4262 0.2884 0.0228 0.2249 601 NAG A N2 3899 O O3 . NAG C . ? 1.7646 1.4272 1.2804 0.3358 0.0466 0.2378 601 NAG A O3 3900 O O4 . NAG C . ? 2.0573 1.5895 1.4862 0.3210 0.0677 0.2513 601 NAG A O4 3901 O O5 . NAG C . ? 1.8933 1.5185 1.4178 0.2411 0.0492 0.2089 601 NAG A O5 3902 O O6 . NAG C . ? 2.0062 1.4987 1.4605 0.2313 0.0750 0.2122 601 NAG A O6 3903 O O7 . NAG C . ? 1.6602 1.4913 1.2854 0.2542 0.0089 0.2005 601 NAG A O7 3904 C C1 . NAG D . ? 1.3635 1.1348 1.0767 0.2039 0.1739 -0.0463 611 NAG A C1 3905 C C2 . NAG D . ? 1.4219 1.2320 1.1510 0.2337 0.1810 -0.0385 611 NAG A C2 3906 C C3 . NAG D . ? 1.5431 1.3149 1.2352 0.2648 0.1975 -0.0392 611 NAG A C3 3907 C C4 . NAG D . ? 1.7065 1.4171 1.3516 0.2579 0.2073 -0.0510 611 NAG A C4 3908 C C5 . NAG D . ? 1.6396 1.3158 1.2730 0.2239 0.1979 -0.0582 611 NAG A C5 3909 C C6 . NAG D . ? 1.6771 1.2999 1.2662 0.2095 0.2053 -0.0706 611 NAG A C6 3910 C C7 . NAG D . ? 1.4524 1.3601 1.2517 0.2388 0.1663 -0.0221 611 NAG A C7 3911 C C8 . NAG D . ? 1.3601 1.2984 1.1865 0.2420 0.1573 -0.0134 611 NAG A C8 3912 N N2 . NAG D . ? 1.4688 1.3145 1.2294 0.2383 0.1723 -0.0291 611 NAG A N2 3913 O O3 . NAG D . ? 1.4983 1.3169 1.2082 0.2882 0.2039 -0.0331 611 NAG A O3 3914 O O4 . NAG D . ? 1.9383 1.6013 1.5441 0.2870 0.2222 -0.0509 611 NAG A O4 3915 O O5 . NAG D . ? 1.5062 1.2306 1.1793 0.1996 0.1833 -0.0562 611 NAG A O5 3916 O O6 . NAG D . ? 1.6346 1.2865 1.2329 0.2055 0.2067 -0.0736 611 NAG A O6 3917 O O7 . NAG D . ? 1.4143 1.3514 1.2245 0.2357 0.1683 -0.0230 611 NAG A O7 3918 C C1 . NAG E . ? 1.9890 1.6298 1.5637 0.3028 0.2373 -0.0567 612 NAG A C1 3919 C C2 . NAG E . ? 2.0905 1.6489 1.6056 0.3183 0.2521 -0.0622 612 NAG A C2 3920 C C3 . NAG E . ? 2.1768 1.7111 1.6573 0.3370 0.2691 -0.0685 612 NAG A C3 3921 C C4 . NAG E . ? 2.1829 1.7790 1.6932 0.3716 0.2748 -0.0577 612 NAG A C4 3922 C C5 . NAG E . ? 2.1146 1.7918 1.6842 0.3502 0.2589 -0.0531 612 NAG A C5 3923 C C6 . NAG E . ? 2.0804 1.8280 1.6829 0.3770 0.2633 -0.0432 612 NAG A C6 3924 C C7 . NAG E . ? 2.0505 1.5306 1.5342 0.2800 0.2415 -0.0682 612 NAG A C7 3925 C C8 . NAG E . ? 2.0451 1.4757 1.5013 0.2437 0.2365 -0.0781 612 NAG A C8 3926 N N2 . NAG E . ? 2.0747 1.5796 1.5632 0.2861 0.2468 -0.0712 612 NAG A N2 3927 O O3 . NAG E . ? 2.2176 1.6691 1.6370 0.3505 0.2843 -0.0746 612 NAG A O3 3928 O O4 . NAG E . ? 2.2121 1.7852 1.6885 0.3951 0.2926 -0.0622 612 NAG A O4 3929 O O5 . NAG E . ? 2.0070 1.7011 1.6055 0.3312 0.2431 -0.0483 612 NAG A O5 3930 O O6 . NAG E . ? 2.0197 1.8205 1.6640 0.3821 0.2529 -0.0314 612 NAG A O6 3931 O O7 . NAG E . ? 2.0066 1.5054 1.5071 0.3018 0.2406 -0.0577 612 NAG A O7 3932 C C1 . NAG F . ? 1.4031 1.4578 1.2501 0.1051 -0.0348 0.0844 621 NAG A C1 3933 C C2 . NAG F . ? 1.5578 1.6522 1.4079 0.1082 -0.0440 0.0870 621 NAG A C2 3934 C C3 . NAG F . ? 1.5814 1.7051 1.4498 0.1062 -0.0486 0.0831 621 NAG A C3 3935 C C4 . NAG F . ? 1.6632 1.7740 1.5435 0.0930 -0.0454 0.0724 621 NAG A C4 3936 C C5 . NAG F . ? 1.5977 1.6687 1.4737 0.0940 -0.0364 0.0718 621 NAG A C5 3937 C C6 . NAG F . ? 1.5094 1.5687 1.3940 0.0793 -0.0337 0.0609 621 NAG A C6 3938 C C7 . NAG F . ? 1.5556 1.6639 1.3806 0.1295 -0.0482 0.1054 621 NAG A C7 3939 C C8 . NAG F . ? 1.5797 1.6888 1.3915 0.1519 -0.0476 0.1204 621 NAG A C8 3940 N N2 . NAG F . ? 1.5692 1.6671 1.4074 0.1270 -0.0444 0.1001 621 NAG A N2 3941 O O3 . NAG F . ? 1.4534 1.6118 1.3231 0.0976 -0.0572 0.0805 621 NAG A O3 3942 O O4 . NAG F . ? 1.7627 1.8980 1.6582 0.0959 -0.0481 0.0723 621 NAG A O4 3943 O O5 . NAG F . ? 1.4458 1.4970 1.3062 0.0932 -0.0333 0.0743 621 NAG A O5 3944 O O6 . NAG F . ? 1.2929 1.3572 1.1730 0.0668 -0.0364 0.0542 621 NAG A O6 3945 O O7 . NAG F . ? 1.3743 1.4899 1.1958 0.1155 -0.0517 0.0990 621 NAG A O7 3946 C C1 . NAG G . ? 1.8342 1.9773 1.7400 0.0782 -0.0502 0.0614 622 NAG A C1 3947 C C2 . NAG G . ? 1.7453 1.8946 1.6662 0.0819 -0.0481 0.0609 622 NAG A C2 3948 C C3 . NAG G . ? 1.7537 1.9441 1.6864 0.0744 -0.0548 0.0587 622 NAG A C3 3949 C C4 . NAG G . ? 1.8206 2.0185 1.7486 0.0526 -0.0597 0.0494 622 NAG A C4 3950 C C5 . NAG G . ? 1.7842 1.9570 1.6958 0.0487 -0.0584 0.0470 622 NAG A C5 3951 C C6 . NAG G . ? 1.6890 1.8746 1.5913 0.0304 -0.0641 0.0396 622 NAG A C6 3952 C C7 . NAG G . ? 1.6100 1.7014 1.5321 0.0797 -0.0353 0.0548 622 NAG A C7 3953 C C8 . NAG G . ? 1.5408 1.6107 1.4667 0.0686 -0.0309 0.0466 622 NAG A C8 3954 N N2 . NAG G . ? 1.6649 1.7849 1.5886 0.0727 -0.0424 0.0531 622 NAG A N2 3955 O O3 . NAG G . ? 1.6230 1.8471 1.5570 0.0884 -0.0593 0.0686 622 NAG A O3 3956 O O4 . NAG G . ? 1.7539 1.9402 1.6879 0.0389 -0.0573 0.0403 622 NAG A O4 3957 O O5 . NAG G . ? 1.8410 2.0128 1.7458 0.0657 -0.0578 0.0573 622 NAG A O5 3958 O O6 . NAG G . ? 1.5866 1.7690 1.4741 0.0330 -0.0658 0.0423 622 NAG A O6 3959 O O7 . NAG G . ? 1.6437 1.7252 1.5594 0.0943 -0.0322 0.0628 622 NAG A O7 3960 C C1 . NAG H . ? 1.2667 1.1895 0.8423 0.0094 0.1093 0.2008 631 NAG A C1 3961 C C2 . NAG H . ? 1.3288 1.2282 0.8682 0.0223 0.1136 0.2195 631 NAG A C2 3962 C C3 . NAG H . ? 1.3313 1.1822 0.8484 0.0347 0.1179 0.2302 631 NAG A C3 3963 C C4 . NAG H . ? 1.3564 1.1725 0.8738 0.0145 0.1251 0.2232 631 NAG A C4 3964 C C5 . NAG H . ? 1.3872 1.2367 0.9444 -0.0003 0.1201 0.2041 631 NAG A C5 3965 C C6 . NAG H . ? 1.4095 1.2350 0.9704 -0.0227 0.1265 0.1965 631 NAG A C6 3966 C C7 . NAG H . ? 1.4157 1.3775 0.9505 0.0315 0.1058 0.2247 631 NAG A C7 3967 C C8 . NAG H . ? 1.4134 1.3642 0.9399 0.0108 0.1149 0.2223 631 NAG A C8 3968 N N2 . NAG H . ? 1.3738 1.3115 0.9146 0.0370 0.1057 0.2237 631 NAG A N2 3969 O O3 . NAG H . ? 1.3069 1.1281 0.7859 0.0457 0.1240 0.2481 631 NAG A O3 3970 O O4 . NAG H . ? 1.3606 1.1345 0.8606 0.0267 0.1277 0.2298 631 NAG A O4 3971 O O5 . NAG H . ? 1.3592 1.2516 0.9326 -0.0076 0.1171 0.1971 631 NAG A O5 3972 O O6 . NAG H . ? 1.4467 1.2352 0.9765 -0.0355 0.1369 0.2055 631 NAG A O6 3973 O O7 . NAG H . ? 1.3801 1.3756 0.9155 0.0429 0.0984 0.2279 631 NAG A O7 3974 C C1 . NAG I . ? 1.4031 1.1210 0.8637 0.0203 0.1390 0.2408 632 NAG A C1 3975 C C2 . NAG I . ? 1.4294 1.0966 0.8716 0.0279 0.1431 0.2439 632 NAG A C2 3976 C C3 . NAG I . ? 1.5139 1.1168 0.9104 0.0173 0.1559 0.2545 632 NAG A C3 3977 C C4 . NAG I . ? 1.6024 1.1940 0.9662 0.0346 0.1596 0.2724 632 NAG A C4 3978 C C5 . NAG I . ? 1.5667 1.2171 0.9565 0.0246 0.1541 0.2671 632 NAG A C5 3979 C C6 . NAG I . ? 1.5843 1.2329 0.9456 0.0344 0.1576 0.2828 632 NAG A C6 3980 C C7 . NAG I . ? 1.2926 1.0076 0.7965 0.0273 0.1296 0.2202 632 NAG A C7 3981 C C8 . NAG I . ? 1.2679 0.9933 0.8013 0.0121 0.1264 0.2042 632 NAG A C8 3982 N N2 . NAG I . ? 1.3793 1.0601 0.8534 0.0139 0.1391 0.2275 632 NAG A N2 3983 O O3 . NAG I . ? 1.5277 1.0771 0.9010 0.0235 0.1610 0.2572 632 NAG A O3 3984 O O4 . NAG I . ? 1.7394 1.2711 1.0600 0.0209 0.1722 0.2815 632 NAG A O4 3985 O O5 . NAG I . ? 1.4594 1.1665 0.8891 0.0352 0.1421 0.2573 632 NAG A O5 3986 O O6 . NAG I . ? 1.6858 1.2980 1.0137 0.0629 0.1602 0.2993 632 NAG A O6 3987 O O7 . NAG I . ? 1.3110 1.0504 0.8185 0.0504 0.1235 0.2263 632 NAG A O7 3988 C C1 . BMA J . ? 1.8559 1.3151 1.1319 0.0312 0.1814 0.2919 633 BMA A C1 3989 C C2 . BMA J . ? 2.0302 1.4356 1.2561 0.0213 0.1940 0.3058 633 BMA A C2 3990 C C3 . BMA J . ? 2.1012 1.4426 1.2748 0.0514 0.2020 0.3246 633 BMA A C3 3991 C C4 . BMA J . ? 2.1118 1.4128 1.2789 0.0547 0.2041 0.3182 633 BMA A C4 3992 C C5 . BMA J . ? 2.0239 1.3855 1.2426 0.0695 0.1906 0.3064 633 BMA A C5 3993 C C6 . BMA J . ? 2.0870 1.4071 1.2985 0.0687 0.1935 0.2989 633 BMA A C6 3994 O O2 . BMA J . ? 2.1361 1.5124 1.3564 -0.0154 0.2010 0.2960 633 BMA A O2 3995 O O3 . BMA J . ? 2.0106 1.2952 1.1324 0.0417 0.2148 0.3384 633 BMA A O3 3996 O O4 . BMA J . ? 2.2324 1.4647 1.3456 0.0822 0.2137 0.3350 633 BMA A O4 3997 O O5 . BMA J . ? 1.8605 1.2934 1.1326 0.0485 0.1806 0.2906 633 BMA A O5 3998 O O6 . BMA J . ? 2.1413 1.4863 1.3881 0.0348 0.1895 0.2797 633 BMA A O6 3999 C C1 . MAN K . ? 2.2722 1.5614 1.4977 0.0210 0.1961 0.2734 637 MAN A C1 4000 C C2 . MAN K . ? 2.1758 1.5019 1.4455 -0.0071 0.1892 0.2529 637 MAN A C2 4001 C C3 . MAN K . ? 2.2514 1.5195 1.4901 -0.0403 0.1991 0.2478 637 MAN A C3 4002 C C4 . MAN K . ? 2.3674 1.5449 1.5420 -0.0270 0.2116 0.2600 637 MAN A C4 4003 C C5 . MAN K . ? 2.4209 1.5703 1.5566 -0.0055 0.2186 0.2796 637 MAN A C5 4004 C C6 . MAN K . ? 2.4583 1.5130 1.5257 0.0105 0.2323 0.2929 637 MAN A C6 4005 O O2 . MAN K . ? 2.0894 1.4376 1.3860 0.0119 0.1813 0.2458 637 MAN A O2 4006 O O3 . MAN K . ? 2.1512 1.4432 1.4234 -0.0563 0.1929 0.2312 637 MAN A O3 4007 O O4 . MAN K . ? 2.3862 1.5107 1.5302 -0.0627 0.2207 0.2543 637 MAN A O4 4008 O O5 . MAN K . ? 2.4263 1.6300 1.5909 0.0297 0.2091 0.2853 637 MAN A O5 4009 O O6 . MAN K . ? 2.3641 1.4025 1.4008 0.0365 0.2372 0.3120 637 MAN A O6 4010 C C1 . NAG L . ? 1.2676 1.0313 1.0919 0.0158 0.0544 -0.0005 641 NAG A C1 4011 C C2 . NAG L . ? 1.3953 1.1253 1.1938 0.0107 0.0586 0.0018 641 NAG A C2 4012 C C3 . NAG L . ? 1.4085 1.1244 1.1896 -0.0148 0.0603 -0.0026 641 NAG A C3 4013 C C4 . NAG L . ? 1.4609 1.1759 1.2367 -0.0255 0.0618 -0.0094 641 NAG A C4 4014 C C5 . NAG L . ? 1.3803 1.1330 1.1862 -0.0158 0.0566 -0.0100 641 NAG A C5 4015 C C6 . NAG L . ? 1.3461 1.0998 1.1475 -0.0242 0.0580 -0.0161 641 NAG A C6 4016 C C7 . NAG L . ? 1.3813 1.1150 1.1862 0.0348 0.0562 0.0134 641 NAG A C7 4017 C C8 . NAG L . ? 1.3645 1.1151 1.1809 0.0375 0.0513 0.0189 641 NAG A C8 4018 N N2 . NAG L . ? 1.3364 1.0809 1.1468 0.0161 0.0544 0.0077 641 NAG A N2 4019 O O3 . NAG L . ? 1.4723 1.1437 1.2197 -0.0187 0.0672 -0.0014 641 NAG A O3 4020 O O4 . NAG L . ? 1.5459 1.2747 1.3224 -0.0491 0.0586 -0.0113 641 NAG A O4 4021 O O5 . NAG L . ? 1.3040 1.0566 1.1169 0.0074 0.0579 -0.0065 641 NAG A O5 4022 O O6 . NAG L . ? 1.1779 0.9727 1.0101 -0.0199 0.0516 -0.0152 641 NAG A O6 4023 O O7 . NAG L . ? 1.2624 0.9742 1.0524 0.0509 0.0619 0.0148 641 NAG A O7 4024 C C1 . NAG M . ? 1.7156 1.4134 1.4608 -0.0689 0.0641 -0.0167 642 NAG A C1 4025 C C2 . NAG M . ? 1.7880 1.5096 1.5370 -0.0947 0.0600 -0.0174 642 NAG A C2 4026 C C3 . NAG M . ? 1.9187 1.6171 1.6383 -0.1179 0.0644 -0.0245 642 NAG A C3 4027 C C4 . NAG M . ? 1.9291 1.5629 1.6059 -0.1166 0.0747 -0.0269 642 NAG A C4 4028 C C5 . NAG M . ? 1.8566 1.4661 1.5319 -0.0847 0.0789 -0.0231 642 NAG A C5 4029 C C6 . NAG M . ? 1.7747 1.3210 1.4067 -0.0821 0.0892 -0.0223 642 NAG A C6 4030 C C7 . NAG M . ? 1.7740 1.5785 1.5783 -0.0906 0.0476 -0.0168 642 NAG A C7 4031 C C8 . NAG M . ? 1.6061 1.4595 1.4431 -0.0872 0.0401 -0.0128 642 NAG A C8 4032 N N2 . NAG M . ? 1.7690 1.5451 1.5548 -0.0932 0.0515 -0.0148 642 NAG A N2 4033 O O3 . NAG M . ? 1.9894 1.7105 1.7093 -0.1437 0.0612 -0.0246 642 NAG A O3 4034 O O4 . NAG M . ? 1.9425 1.5549 1.5949 -0.1310 0.0788 -0.0348 642 NAG A O4 4035 O O5 . NAG M . ? 1.7492 1.3955 1.4594 -0.0671 0.0724 -0.0162 642 NAG A O5 4036 O O6 . NAG M . ? 1.5887 1.1312 1.2280 -0.0585 0.0895 -0.0144 642 NAG A O6 4037 O O7 . NAG M . ? 1.8177 1.6089 1.6119 -0.0902 0.0502 -0.0215 642 NAG A O7 4038 C C1 . BMA N . ? 2.0092 1.6083 1.6353 -0.1640 0.0807 -0.0388 643 BMA A C1 4039 C C2 . BMA N . ? 2.0290 1.5689 1.6078 -0.1740 0.0905 -0.0467 643 BMA A C2 4040 C C3 . BMA N . ? 2.0229 1.5395 1.5680 -0.2095 0.0937 -0.0499 643 BMA A C3 4041 C C4 . BMA N . ? 1.9758 1.5553 1.5463 -0.2355 0.0842 -0.0507 643 BMA A C4 4042 C C5 . BMA N . ? 1.9712 1.6156 1.5947 -0.2182 0.0742 -0.0425 643 BMA A C5 4043 C C6 . BMA N . ? 1.9008 1.6111 1.5516 -0.2368 0.0652 -0.0420 643 BMA A C6 4044 O O2 . BMA N . ? 1.9875 1.5410 1.5698 -0.1766 0.0890 -0.0530 643 BMA A O2 4045 O O3 . BMA N . ? 2.0734 1.5274 1.5681 -0.2211 0.1039 -0.0581 643 BMA A O3 4046 O O4 . BMA N . ? 1.8774 1.4444 1.4216 -0.2688 0.0865 -0.0519 643 BMA A O4 4047 O O5 . BMA N . ? 2.0147 1.6659 1.6618 -0.1850 0.0728 -0.0402 643 BMA A O5 4048 O O6 . BMA N . ? 1.8239 1.5477 1.4737 -0.2445 0.0632 -0.0480 643 BMA A O6 4049 C C1 . MAN O . ? 2.0497 1.4407 1.5147 -0.1969 0.1143 -0.0562 644 MAN A C1 4050 C C2 . MAN O . ? 2.0656 1.4042 1.4884 -0.2150 0.1220 -0.0551 644 MAN A C2 4051 C C3 . MAN O . ? 2.1564 1.4519 1.5292 -0.2519 0.1287 -0.0656 644 MAN A C3 4052 C C4 . MAN O . ? 2.2119 1.4578 1.5538 -0.2364 0.1378 -0.0727 644 MAN A C4 4053 C C5 . MAN O . ? 2.1500 1.4605 1.5412 -0.2203 0.1283 -0.0732 644 MAN A C5 4054 C C6 . MAN O . ? 2.1375 1.4205 1.5099 -0.2074 0.1346 -0.0806 644 MAN A C6 4055 O O2 . MAN O . ? 1.9494 1.2398 1.3540 -0.1834 0.1303 -0.0500 644 MAN A O2 4056 O O3 . MAN O . ? 2.1553 1.4124 1.4896 -0.2813 0.1342 -0.0658 644 MAN A O3 4057 O O4 . MAN O . ? 2.2292 1.4207 1.5156 -0.2682 0.1462 -0.0830 644 MAN A O4 4058 O O5 . MAN O . ? 2.1517 1.5016 1.5884 -0.1879 0.1223 -0.0631 644 MAN A O5 4059 O O6 . MAN O . ? 2.3049 1.5054 1.6132 -0.2168 0.1484 -0.0875 644 MAN A O6 4060 C C1 . MAN P . ? 2.1454 1.3324 1.4410 -0.2664 0.1453 -0.0615 645 MAN A C1 4061 C C2 . MAN P . ? 2.1203 1.3182 1.4193 -0.2824 0.1432 -0.0542 645 MAN A C2 4062 C C3 . MAN P . ? 2.2194 1.3357 1.4688 -0.2714 0.1561 -0.0497 645 MAN A C3 4063 C C4 . MAN P . ? 2.2854 1.3427 1.5054 -0.2390 0.1664 -0.0520 645 MAN A C4 4064 C C5 . MAN P . ? 2.4346 1.4652 1.6227 -0.2616 0.1709 -0.0651 645 MAN A C5 4065 C C6 . MAN P . ? 2.5267 1.5184 1.6977 -0.2280 0.1792 -0.0686 645 MAN A C6 4066 O O2 . MAN P . ? 1.8207 1.0917 1.1794 -0.2655 0.1316 -0.0459 645 MAN A O2 4067 O O3 . MAN P . ? 2.1216 1.2620 1.3983 -0.2526 0.1521 -0.0384 645 MAN A O3 4068 O O4 . MAN P . ? 2.2775 1.2577 1.4483 -0.2282 0.1790 -0.0472 645 MAN A O4 4069 O O5 . MAN P . ? 2.3513 1.4575 1.5810 -0.2841 0.1583 -0.0697 645 MAN A O5 4070 O O6 . MAN P . ? 2.5827 1.5597 1.7615 -0.1832 0.1831 -0.0584 645 MAN A O6 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLN 1 2 ? ? ? A . n A 1 2 ASN 2 3 ? ? ? A . n A 1 3 PRO 3 4 ? ? ? A . n A 1 4 ILE 4 5 ? ? ? A . n A 1 5 SER 5 6 ? ? ? A . n A 1 6 GLY 6 7 ? ? ? A . n A 1 7 ASN 7 8 8 ASN ASN A . n A 1 8 ASN 8 9 9 ASN ASN A . n A 1 9 THR 9 10 10 THR THR A . n A 1 10 ALA 10 11 11 ALA ALA A . n A 1 11 THR 11 12 12 THR THR A . n A 1 12 LEU 12 13 13 LEU LEU A . n A 1 13 CYS 13 14 14 CYS CYS A . n A 1 14 LEU 14 15 15 LEU LEU A . n A 1 15 GLY 15 16 16 GLY GLY A . n A 1 16 HIS 16 17 17 HIS HIS A . n A 1 17 HIS 17 18 18 HIS HIS A . n A 1 18 ALA 18 19 19 ALA ALA A . n A 1 19 VAL 19 20 20 VAL VAL A . n A 1 20 ALA 20 21 21 ALA ALA A . n A 1 21 ASN 21 22 22 ASN ASN A . n A 1 22 GLY 22 23 23 GLY GLY A . n A 1 23 THR 23 24 24 THR THR A . n A 1 24 LEU 24 25 25 LEU LEU A . n A 1 25 VAL 25 26 26 VAL VAL A . n A 1 26 LYS 26 27 27 LYS LYS A . n A 1 27 THR 27 28 28 THR THR A . n A 1 28 MET 28 29 29 MET MET A . n A 1 29 SER 29 30 30 SER SER A . n A 1 30 ASP 30 31 31 ASP ASP A . n A 1 31 ASP 31 32 32 ASP ASP A . n A 1 32 GLN 32 33 33 GLN GLN A . n A 1 33 ILE 33 34 34 ILE ILE A . n A 1 34 GLU 34 35 35 GLU GLU A . n A 1 35 VAL 35 36 36 VAL VAL A . n A 1 36 THR 36 37 37 THR THR A . n A 1 37 ASN 37 38 38 ASN ASN A . n A 1 38 ALA 38 39 39 ALA ALA A . n A 1 39 THR 39 40 40 THR THR A . n A 1 40 GLU 40 41 41 GLU GLU A . n A 1 41 LEU 41 42 42 LEU LEU A . n A 1 42 VAL 42 43 43 VAL VAL A . n A 1 43 GLN 43 44 44 GLN GLN A . n A 1 44 SER 44 45 45 SER SER A . n A 1 45 ILE 45 46 46 ILE ILE A . n A 1 46 SER 46 47 47 SER SER A . n A 1 47 MET 47 48 48 MET MET A . n A 1 48 GLY 48 49 49 GLY GLY A . n A 1 49 LYS 49 50 50 LYS LYS A . n A 1 50 ILE 50 51 51 ILE ILE A . n A 1 51 CYS 51 52 52 CYS CYS A . n A 1 52 ASN 52 53 53 ASN ASN A . n A 1 53 LYS 53 54 54 LYS LYS A . n A 1 54 SER 54 55 55 SER SER A . n A 1 55 TYR 55 56 56 TYR TYR A . n A 1 56 ARG 56 57 57 ARG ARG A . n A 1 57 ILE 57 58 58 ILE ILE A . n A 1 58 LEU 58 59 59 LEU LEU A . n A 1 59 ASP 59 60 60 ASP ASP A . n A 1 60 GLY 60 61 61 GLY GLY A . n A 1 61 ARG 61 62 62 ARG ARG A . n A 1 62 ASN 62 63 63 ASN ASN A . n A 1 63 CYS 63 64 64 CYS CYS A . n A 1 64 THR 64 65 65 THR THR A . n A 1 65 LEU 65 66 66 LEU LEU A . n A 1 66 ILE 66 67 67 ILE ILE A . n A 1 67 ASP 67 68 68 ASP ASP A . n A 1 68 ALA 68 69 69 ALA ALA A . n A 1 69 MET 69 70 70 MET MET A . n A 1 70 LEU 70 71 71 LEU LEU A . n A 1 71 GLY 71 72 72 GLY GLY A . n A 1 72 ASP 72 73 73 ASP ASP A . n A 1 73 PRO 73 74 74 PRO PRO A . n A 1 74 HIS 74 75 75 HIS HIS A . n A 1 75 CYS 75 76 76 CYS CYS A . n A 1 76 ASP 76 77 77 ASP ASP A . n A 1 77 ALA 77 78 78 ALA ALA A . n A 1 78 PHE 78 79 79 PHE PHE A . n A 1 79 GLN 79 80 80 GLN GLN A . n A 1 80 TYR 80 81 81 TYR TYR A . n A 1 81 GLU 81 82 82 GLU GLU A . n A 1 82 SER 82 83 83 SER SER A . n A 1 83 TRP 83 84 84 TRP TRP A . n A 1 84 ASP 84 85 85 ASP ASP A . n A 1 85 LEU 85 86 86 LEU LEU A . n A 1 86 PHE 86 87 87 PHE PHE A . n A 1 87 ILE 87 88 88 ILE ILE A . n A 1 88 GLU 88 89 89 GLU GLU A . n A 1 89 ARG 89 90 90 ARG ARG A . n A 1 90 SER 90 91 91 SER SER A . n A 1 91 ASN 91 92 92 ASN ASN A . n A 1 92 ALA 92 93 93 ALA ALA A . n A 1 93 PHE 93 94 94 PHE PHE A . n A 1 94 SER 94 95 95 SER SER A . n A 1 95 ASN 95 96 96 ASN ASN A . n A 1 96 CYS 96 97 97 CYS CYS A . n A 1 97 TYR 97 98 98 TYR TYR A . n A 1 98 PRO 98 99 99 PRO PRO A . n A 1 99 TYR 99 100 100 TYR TYR A . n A 1 100 ASP 100 101 101 ASP ASP A . n A 1 101 ILE 101 102 102 ILE ILE A . n A 1 102 PRO 102 103 103 PRO PRO A . n A 1 103 ASP 103 104 104 ASP ASP A . n A 1 104 TYR 104 105 105 TYR TYR A . n A 1 105 ALA 105 106 106 ALA ALA A . n A 1 106 SER 106 107 107 SER SER A . n A 1 107 LEU 107 108 108 LEU LEU A . n A 1 108 ARG 108 109 109 ARG ARG A . n A 1 109 SER 109 110 110 SER SER A . n A 1 110 ILE 110 111 111 ILE ILE A . n A 1 111 VAL 111 112 112 VAL VAL A . n A 1 112 ALA 112 113 113 ALA ALA A . n A 1 113 SER 113 114 114 SER SER A . n A 1 114 SER 114 115 115 SER SER A . n A 1 115 GLY 115 116 116 GLY GLY A . n A 1 116 THR 116 117 117 THR THR A . n A 1 117 VAL 117 118 118 VAL VAL A . n A 1 118 GLU 118 119 119 GLU GLU A . n A 1 119 PHE 119 120 120 PHE PHE A . n A 1 120 THR 120 121 121 THR THR A . n A 1 121 ALA 121 122 122 ALA ALA A . n A 1 122 GLU 122 123 123 GLU GLU A . n A 1 123 GLY 123 124 124 GLY GLY A . n A 1 124 PHE 124 125 125 PHE PHE A . n A 1 125 THR 125 126 126 THR THR A . n A 1 126 TRP 126 127 127 TRP TRP A . n A 1 127 THR 127 128 128 THR THR A . n A 1 128 GLY 128 129 129 GLY GLY A . n A 1 129 VAL 129 130 130 VAL VAL A . n A 1 130 THR 130 131 131 THR THR A . n A 1 131 GLN 131 132 132 GLN GLN A . n A 1 132 ASN 132 133 133 ASN ASN A . n A 1 133 GLY 133 134 134 GLY GLY A . n A 1 134 ARG 134 135 135 ARG ARG A . n A 1 135 SER 135 136 136 SER SER A . n A 1 136 GLY 136 137 137 GLY GLY A . n A 1 137 ALA 137 138 138 ALA ALA A . n A 1 138 CYS 138 139 139 CYS CYS A . n A 1 139 LYS 139 140 140 LYS LYS A . n A 1 140 ARG 140 141 141 ARG ARG A . n A 1 141 GLY 141 142 142 GLY GLY A . n A 1 142 SER 142 143 143 SER SER A . n A 1 143 ALA 143 144 144 ALA ALA A . n A 1 144 ASP 144 145 145 ASP ASP A . n A 1 145 SER 145 146 146 SER SER A . n A 1 146 PHE 146 147 147 PHE PHE A . n A 1 147 PHE 147 148 148 PHE PHE A . n A 1 148 SER 148 149 149 SER SER A . n A 1 149 ARG 149 150 150 ARG ARG A . n A 1 150 LEU 150 151 151 LEU LEU A . n A 1 151 ASN 151 152 152 ASN ASN A . n A 1 152 TRP 152 153 153 TRP TRP A . n A 1 153 LEU 153 154 154 LEU LEU A . n A 1 154 THR 154 155 155 THR THR A . n A 1 155 LYS 155 156 156 LYS LYS A . n A 1 156 SER 156 157 157 SER SER A . n A 1 157 GLY 157 158 158 GLY GLY A . n A 1 158 SER 158 159 159 SER SER A . n A 1 159 SER 159 160 160 SER SER A . n A 1 160 TYR 160 161 161 TYR TYR A . n A 1 161 PRO 161 162 162 PRO PRO A . n A 1 162 THR 162 163 163 THR THR A . n A 1 163 LEU 163 164 164 LEU LEU A . n A 1 164 ASN 164 165 165 ASN ASN A . n A 1 165 VAL 165 166 166 VAL VAL A . n A 1 166 THR 166 167 167 THR THR A . n A 1 167 MET 167 168 168 MET MET A . n A 1 168 PRO 168 169 169 PRO PRO A . n A 1 169 ASN 169 170 170 ASN ASN A . n A 1 170 ASN 170 171 171 ASN ASN A . n A 1 171 LYS 171 172 172 LYS LYS A . n A 1 172 ASN 172 173 173 ASN ASN A . n A 1 173 PHE 173 174 174 PHE PHE A . n A 1 174 ASP 174 175 175 ASP ASP A . n A 1 175 LYS 175 176 176 LYS LYS A . n A 1 176 LEU 176 177 177 LEU LEU A . n A 1 177 TYR 177 178 178 TYR TYR A . n A 1 178 ILE 178 179 179 ILE ILE A . n A 1 179 TRP 179 180 180 TRP TRP A . n A 1 180 GLY 180 181 181 GLY GLY A . n A 1 181 ILE 181 182 182 ILE ILE A . n A 1 182 HIS 182 183 183 HIS HIS A . n A 1 183 HIS 183 184 184 HIS HIS A . n A 1 184 PRO 184 185 185 PRO PRO A . n A 1 185 SER 185 186 186 SER SER A . n A 1 186 SER 186 187 187 SER SER A . n A 1 187 ASN 187 188 188 ASN ASN A . n A 1 188 GLN 188 189 189 GLN GLN A . n A 1 189 GLU 189 190 190 GLU GLU A . n A 1 190 GLN 190 191 191 GLN GLN A . n A 1 191 THR 191 192 192 THR THR A . n A 1 192 LYS 192 193 193 LYS LYS A . n A 1 193 LEU 193 194 194 LEU LEU A . n A 1 194 TYR 194 195 195 TYR TYR A . n A 1 195 ILE 195 196 196 ILE ILE A . n A 1 196 GLN 196 197 197 GLN GLN A . n A 1 197 GLU 197 198 198 GLU GLU A . n A 1 198 SER 198 199 199 SER SER A . n A 1 199 GLY 199 200 200 GLY GLY A . n A 1 200 ARG 200 201 201 ARG ARG A . n A 1 201 VAL 201 202 202 VAL VAL A . n A 1 202 THR 202 203 203 THR THR A . n A 1 203 VAL 203 204 204 VAL VAL A . n A 1 204 SER 204 205 205 SER SER A . n A 1 205 THR 205 206 206 THR THR A . n A 1 206 LYS 206 207 207 LYS LYS A . n A 1 207 ARG 207 208 208 ARG ARG A . n A 1 208 SER 208 209 209 SER SER A . n A 1 209 GLN 209 210 210 GLN GLN A . n A 1 210 GLN 210 211 211 GLN GLN A . n A 1 211 THR 211 212 212 THR THR A . n A 1 212 ILE 212 213 213 ILE ILE A . n A 1 213 ILE 213 214 214 ILE ILE A . n A 1 214 PRO 214 215 215 PRO PRO A . n A 1 215 ASN 215 216 216 ASN ASN A . n A 1 216 ILE 216 217 217 ILE ILE A . n A 1 217 GLY 217 218 218 GLY GLY A . n A 1 218 SER 218 219 219 SER SER A . n A 1 219 ARG 219 220 220 ARG ARG A . n A 1 220 PRO 220 221 221 PRO PRO A . n A 1 221 LEU 221 222 222 LEU LEU A . n A 1 222 VAL 222 223 223 VAL VAL A . n A 1 223 ARG 223 224 224 ARG ARG A . n A 1 224 GLY 224 225 225 GLY GLY A . n A 1 225 GLN 225 226 226 GLN GLN A . n A 1 226 SER 226 227 227 SER SER A . n A 1 227 GLY 227 228 228 GLY GLY A . n A 1 228 ARG 228 229 229 ARG ARG A . n A 1 229 ILE 229 230 230 ILE ILE A . n A 1 230 SER 230 231 231 SER SER A . n A 1 231 ILE 231 232 232 ILE ILE A . n A 1 232 TYR 232 233 233 TYR TYR A . n A 1 233 TRP 233 234 234 TRP TRP A . n A 1 234 THR 234 235 235 THR THR A . n A 1 235 ILE 235 236 236 ILE ILE A . n A 1 236 VAL 236 237 237 VAL VAL A . n A 1 237 LYS 237 238 238 LYS LYS A . n A 1 238 PRO 238 239 239 PRO PRO A . n A 1 239 GLY 239 240 240 GLY GLY A . n A 1 240 ASP 240 241 241 ASP ASP A . n A 1 241 ILE 241 242 242 ILE ILE A . n A 1 242 LEU 242 243 243 LEU LEU A . n A 1 243 MET 243 244 244 MET MET A . n A 1 244 ILE 244 245 245 ILE ILE A . n A 1 245 ASN 245 246 246 ASN ASN A . n A 1 246 SER 246 247 247 SER SER A . n A 1 247 ASN 247 248 248 ASN ASN A . n A 1 248 GLY 248 249 249 GLY GLY A . n A 1 249 ASN 249 250 250 ASN ASN A . n A 1 250 LEU 250 251 251 LEU LEU A . n A 1 251 VAL 251 252 252 VAL VAL A . n A 1 252 ALA 252 253 253 ALA ALA A . n A 1 253 PRO 253 254 254 PRO PRO A . n A 1 254 ARG 254 255 255 ARG ARG A . n A 1 255 GLY 255 256 256 GLY GLY A . n A 1 256 TYR 256 257 257 TYR TYR A . n A 1 257 PHE 257 258 258 PHE PHE A . n A 1 258 LYS 258 259 259 LYS LYS A . n A 1 259 LEU 259 260 260 LEU LEU A . n A 1 260 ASN 260 261 261 ASN ASN A . n A 1 261 THR 261 262 262 THR THR A . n A 1 262 GLY 262 263 263 GLY GLY A . n A 1 263 LYS 263 264 264 LYS LYS A . n A 1 264 SER 264 265 265 SER SER A . n A 1 265 SER 265 266 266 SER SER A . n A 1 266 VAL 266 267 267 VAL VAL A . n A 1 267 MET 267 268 268 MET MET A . n A 1 268 ARG 268 269 269 ARG ARG A . n A 1 269 SER 269 270 270 SER SER A . n A 1 270 ASP 270 271 271 ASP ASP A . n A 1 271 VAL 271 272 272 VAL VAL A . n A 1 272 PRO 272 273 273 PRO PRO A . n A 1 273 ILE 273 274 274 ILE ILE A . n A 1 274 ASP 274 275 275 ASP ASP A . n A 1 275 ILE 275 276 276 ILE ILE A . n A 1 276 CYS 276 277 277 CYS CYS A . n A 1 277 VAL 277 278 278 VAL VAL A . n A 1 278 SER 278 279 279 SER SER A . n A 1 279 GLU 279 280 280 GLU GLU A . n A 1 280 CYS 280 281 281 CYS CYS A . n A 1 281 ILE 281 282 282 ILE ILE A . n A 1 282 THR 282 283 283 THR THR A . n A 1 283 PRO 283 284 284 PRO PRO A . n A 1 284 ASN 284 285 285 ASN ASN A . n A 1 285 GLY 285 286 286 GLY GLY A . n A 1 286 SER 286 287 287 SER SER A . n A 1 287 ILE 287 288 288 ILE ILE A . n A 1 288 SER 288 289 289 SER SER A . n A 1 289 ASN 289 290 290 ASN ASN A . n A 1 290 ASP 290 291 291 ASP ASP A . n A 1 291 LYS 291 292 292 LYS LYS A . n A 1 292 PRO 292 293 293 PRO PRO A . n A 1 293 PHE 293 294 294 PHE PHE A . n A 1 294 GLN 294 295 295 GLN GLN A . n A 1 295 ASN 295 296 296 ASN ASN A . n A 1 296 VAL 296 297 297 VAL VAL A . n A 1 297 ASN 297 298 298 ASN ASN A . n A 1 298 LYS 298 299 299 LYS LYS A . n A 1 299 VAL 299 300 300 VAL VAL A . n A 1 300 THR 300 301 301 THR THR A . n A 1 301 TYR 301 302 302 TYR TYR A . n A 1 302 GLY 302 303 303 GLY GLY A . n A 1 303 LYS 303 304 304 LYS LYS A . n A 1 304 CYS 304 305 305 CYS CYS A . n A 1 305 PRO 305 306 306 PRO PRO A . n A 1 306 LYS 306 307 307 LYS LYS A . n A 1 307 TYR 307 308 308 TYR TYR A . n A 1 308 ILE 308 309 309 ILE ILE A . n A 1 309 ARG 309 310 310 ARG ARG A . n A 1 310 GLN 310 311 311 GLN GLN A . n A 1 311 ASN 311 312 312 ASN ASN A . n A 1 312 THR 312 313 313 THR THR A . n A 1 313 LEU 313 314 314 LEU LEU A . n A 1 314 LYS 314 315 315 LYS LYS A . n A 1 315 LEU 315 316 316 LEU LEU A . n A 1 316 ALA 316 317 317 ALA ALA A . n A 1 317 THR 317 318 318 THR THR A . n A 1 318 GLY 318 319 319 GLY GLY A . n A 1 319 MET 319 320 320 MET MET A . n A 1 320 ARG 320 321 321 ARG ARG A . n A 1 321 ASN 321 322 322 ASN ASN A . n A 1 322 VAL 322 323 323 VAL VAL A . n A 1 323 PRO 323 324 324 PRO PRO A . n A 1 324 GLU 324 325 325 GLU GLU A . n A 1 325 LYS 325 326 326 LYS LYS A . n A 1 326 GLN 326 327 ? ? ? A . n A 1 327 THR 327 328 ? ? ? A . n A 1 328 ARG 328 329 ? ? ? A . n B 2 1 GLY 1 1 1 GLY GLY B . n B 2 2 ILE 2 2 2 ILE ILE B . n B 2 3 PHE 3 3 3 PHE PHE B . n B 2 4 GLY 4 4 4 GLY GLY B . n B 2 5 ALA 5 5 5 ALA ALA B . n B 2 6 ILE 6 6 6 ILE ILE B . n B 2 7 ALA 7 7 7 ALA ALA B . n B 2 8 GLY 8 8 8 GLY GLY B . n B 2 9 PHE 9 9 9 PHE PHE B . n B 2 10 ILE 10 10 10 ILE ILE B . n B 2 11 GLU 11 11 11 GLU GLU B . n B 2 12 ASN 12 12 12 ASN ASN B . n B 2 13 GLY 13 13 13 GLY GLY B . n B 2 14 TRP 14 14 14 TRP TRP B . n B 2 15 GLU 15 15 15 GLU GLU B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 MET 17 17 17 MET MET B . n B 2 18 VAL 18 18 18 VAL VAL B . n B 2 19 ASP 19 19 19 ASP ASP B . n B 2 20 GLY 20 20 20 GLY GLY B . n B 2 21 TRP 21 21 21 TRP TRP B . n B 2 22 TYR 22 22 22 TYR TYR B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 PHE 24 24 24 PHE PHE B . n B 2 25 ARG 25 25 25 ARG ARG B . n B 2 26 TYR 26 26 26 TYR TYR B . n B 2 27 GLN 27 27 27 GLN GLN B . n B 2 28 ASN 28 28 28 ASN ASN B . n B 2 29 SER 29 29 29 SER SER B . n B 2 30 GLU 30 30 30 GLU GLU B . n B 2 31 GLY 31 31 31 GLY GLY B . n B 2 32 THR 32 32 32 THR THR B . n B 2 33 GLY 33 33 33 GLY GLY B . n B 2 34 GLN 34 34 34 GLN GLN B . n B 2 35 ALA 35 35 35 ALA ALA B . n B 2 36 ALA 36 36 36 ALA ALA B . n B 2 37 ASP 37 37 37 ASP ASP B . n B 2 38 LEU 38 38 38 LEU LEU B . n B 2 39 LYS 39 39 39 LYS LYS B . n B 2 40 SER 40 40 40 SER SER B . n B 2 41 THR 41 41 41 THR THR B . n B 2 42 GLN 42 42 42 GLN GLN B . n B 2 43 ALA 43 43 43 ALA ALA B . n B 2 44 ALA 44 44 44 ALA ALA B . n B 2 45 ILE 45 45 45 ILE ILE B . n B 2 46 ASP 46 46 46 ASP ASP B . n B 2 47 GLN 47 47 47 GLN GLN B . n B 2 48 ILE 48 48 48 ILE ILE B . n B 2 49 ASN 49 49 49 ASN ASN B . n B 2 50 GLY 50 50 50 GLY GLY B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 LEU 52 52 52 LEU LEU B . n B 2 53 ASN 53 53 53 ASN ASN B . n B 2 54 ARG 54 54 54 ARG ARG B . n B 2 55 VAL 55 55 55 VAL VAL B . n B 2 56 ILE 56 56 56 ILE ILE B . n B 2 57 GLU 57 57 57 GLU GLU B . n B 2 58 ARG 58 58 58 ARG ARG B . n B 2 59 THR 59 59 59 THR THR B . n B 2 60 ASN 60 60 60 ASN ASN B . n B 2 61 GLU 61 61 61 GLU GLU B . n B 2 62 LYS 62 62 62 LYS LYS B . n B 2 63 PHE 63 63 63 PHE PHE B . n B 2 64 HIS 64 64 64 HIS HIS B . n B 2 65 GLN 65 65 65 GLN GLN B . n B 2 66 ILE 66 66 66 ILE ILE B . n B 2 67 GLU 67 67 67 GLU GLU B . n B 2 68 LYS 68 68 68 LYS LYS B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 SER 71 71 71 SER SER B . n B 2 72 GLU 72 72 72 GLU GLU B . n B 2 73 VAL 73 73 73 VAL VAL B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 GLY 75 75 75 GLY GLY B . n B 2 76 ARG 76 76 76 ARG ARG B . n B 2 77 ILE 77 77 77 ILE ILE B . n B 2 78 GLN 78 78 78 GLN GLN B . n B 2 79 ASP 79 79 79 ASP ASP B . n B 2 80 LEU 80 80 80 LEU LEU B . n B 2 81 GLU 81 81 81 GLU GLU B . n B 2 82 LYS 82 82 82 LYS LYS B . n B 2 83 TYR 83 83 83 TYR TYR B . n B 2 84 VAL 84 84 84 VAL VAL B . n B 2 85 GLU 85 85 85 GLU GLU B . n B 2 86 ASP 86 86 86 ASP ASP B . n B 2 87 THR 87 87 87 THR THR B . n B 2 88 LYS 88 88 88 LYS LYS B . n B 2 89 ILE 89 89 89 ILE ILE B . n B 2 90 ASP 90 90 90 ASP ASP B . n B 2 91 LEU 91 91 91 LEU LEU B . n B 2 92 TRP 92 92 92 TRP TRP B . n B 2 93 SER 93 93 93 SER SER B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 ASN 95 95 95 ASN ASN B . n B 2 96 ALA 96 96 96 ALA ALA B . n B 2 97 GLU 97 97 97 GLU GLU B . n B 2 98 LEU 98 98 98 LEU LEU B . n B 2 99 LEU 99 99 99 LEU LEU B . n B 2 100 VAL 100 100 100 VAL VAL B . n B 2 101 ALA 101 101 101 ALA ALA B . n B 2 102 LEU 102 102 102 LEU LEU B . n B 2 103 GLU 103 103 103 GLU GLU B . n B 2 104 ASN 104 104 104 ASN ASN B . n B 2 105 GLN 105 105 105 GLN GLN B . n B 2 106 HIS 106 106 106 HIS HIS B . n B 2 107 THR 107 107 107 THR THR B . n B 2 108 ILE 108 108 108 ILE ILE B . n B 2 109 ASP 109 109 109 ASP ASP B . n B 2 110 LEU 110 110 110 LEU LEU B . n B 2 111 THR 111 111 111 THR THR B . n B 2 112 ASP 112 112 112 ASP ASP B . n B 2 113 ALA 113 113 113 ALA ALA B . n B 2 114 GLU 114 114 114 GLU GLU B . n B 2 115 MET 115 115 115 MET MET B . n B 2 116 ASN 116 116 116 ASN ASN B . n B 2 117 LYS 117 117 117 LYS LYS B . n B 2 118 LEU 118 118 118 LEU LEU B . n B 2 119 PHE 119 119 119 PHE PHE B . n B 2 120 GLU 120 120 120 GLU GLU B . n B 2 121 LYS 121 121 121 LYS LYS B . n B 2 122 THR 122 122 122 THR THR B . n B 2 123 ARG 123 123 123 ARG ARG B . n B 2 124 ARG 124 124 124 ARG ARG B . n B 2 125 GLN 125 125 125 GLN GLN B . n B 2 126 LEU 126 126 126 LEU LEU B . n B 2 127 ARG 127 127 127 ARG ARG B . n B 2 128 GLU 128 128 128 GLU GLU B . n B 2 129 ASN 129 129 129 ASN ASN B . n B 2 130 ALA 130 130 130 ALA ALA B . n B 2 131 GLU 131 131 131 GLU GLU B . n B 2 132 ASP 132 132 132 ASP ASP B . n B 2 133 MET 133 133 133 MET MET B . n B 2 134 GLY 134 134 134 GLY GLY B . n B 2 135 ASP 135 135 135 ASP ASP B . n B 2 136 GLY 136 136 136 GLY GLY B . n B 2 137 CYS 137 137 137 CYS CYS B . n B 2 138 PHE 138 138 138 PHE PHE B . n B 2 139 LYS 139 139 139 LYS LYS B . n B 2 140 ILE 140 140 140 ILE ILE B . n B 2 141 TYR 141 141 141 TYR TYR B . n B 2 142 HIS 142 142 142 HIS HIS B . n B 2 143 LYS 143 143 143 LYS LYS B . n B 2 144 CYS 144 144 144 CYS CYS B . n B 2 145 ASP 145 145 145 ASP ASP B . n B 2 146 ASN 146 146 146 ASN ASN B . n B 2 147 ALA 147 147 147 ALA ALA B . n B 2 148 CYS 148 148 148 CYS CYS B . n B 2 149 ILE 149 149 149 ILE ILE B . n B 2 150 GLU 150 150 150 GLU GLU B . n B 2 151 SER 151 151 151 SER SER B . n B 2 152 ILE 152 152 152 ILE ILE B . n B 2 153 ARG 153 153 153 ARG ARG B . n B 2 154 THR 154 154 154 THR THR B . n B 2 155 GLY 155 155 155 GLY GLY B . n B 2 156 THR 156 156 156 THR THR B . n B 2 157 TYR 157 157 157 TYR TYR B . n B 2 158 ASP 158 158 158 ASP ASP B . n B 2 159 HIS 159 159 159 HIS HIS B . n B 2 160 TYR 160 160 160 TYR TYR B . n B 2 161 ILE 161 161 161 ILE ILE B . n B 2 162 TYR 162 162 162 TYR TYR B . n B 2 163 ARG 163 163 163 ARG ARG B . n B 2 164 ASP 164 164 164 ASP ASP B . n B 2 165 GLU 165 165 165 GLU GLU B . n B 2 166 ALA 166 166 166 ALA ALA B . n B 2 167 LEU 167 167 167 LEU LEU B . n B 2 168 ASN 168 168 168 ASN ASN B . n B 2 169 ASN 169 169 169 ASN ASN B . n B 2 170 ARG 170 170 170 ARG ARG B . n B 2 171 PHE 171 171 171 PHE PHE B . n B 2 172 GLN 172 172 172 GLN GLN B . n B 2 173 SER 173 173 173 SER SER B . n B 2 174 GLY 174 174 174 GLY GLY B . n B 2 175 ARG 175 175 175 ARG ARG B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 NAG 1 601 601 NAG NAG A . D 3 NAG 1 611 611 NAG NAG A . E 3 NAG 2 612 612 NAG NAG A . F 3 NAG 1 621 621 NAG NAG A . G 3 NAG 2 622 622 NAG NAG A . H 3 NAG 1 631 631 NAG NAG A . I 3 NAG 2 632 632 NAG NAG A . J 4 BMA 3 633 633 BMA BMA A . K 5 MAN 4 637 637 MAN MAN A . L 3 NAG 1 641 641 NAG NAG A . M 3 NAG 2 642 642 NAG NAG A . N 4 BMA 3 643 643 BMA BMA A . O 5 MAN 4 644 644 MAN MAN A . P 5 MAN 5 645 645 MAN MAN A . Q 6 SO4 1 1327 1327 SO4 SO4 A . R 6 SO4 1 1176 1176 SO4 SO4 B . S 7 HOH 1 2001 2001 HOH HOH A . S 7 HOH 2 2002 2002 HOH HOH A . S 7 HOH 3 2003 2003 HOH HOH A . S 7 HOH 4 2004 2004 HOH HOH A . S 7 HOH 5 2005 2005 HOH HOH A . S 7 HOH 6 2006 2006 HOH HOH A . S 7 HOH 7 2007 2007 HOH HOH A . S 7 HOH 8 2008 2008 HOH HOH A . S 7 HOH 9 2009 2009 HOH HOH A . S 7 HOH 10 2010 2010 HOH HOH A . S 7 HOH 11 2011 2011 HOH HOH A . S 7 HOH 12 2012 2012 HOH HOH A . S 7 HOH 13 2013 2013 HOH HOH A . S 7 HOH 14 2014 2014 HOH HOH A . S 7 HOH 15 2015 2015 HOH HOH A . S 7 HOH 16 2016 2016 HOH HOH A . T 7 HOH 1 2001 2001 HOH HOH B . T 7 HOH 2 2002 2002 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 21 A ASN 22 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 37 A ASN 38 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 62 A ASN 63 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 164 A ASN 165 ? ASN 'GLYCOSYLATION SITE' 5 A ASN 284 A ASN 285 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 42470 ? 1 MORE -123.7 ? 1 'SSA (A^2)' 61990 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_545 -y,x-y-1,z -0.5000000000 -0.8660254038 0.0000000000 48.2025000000 0.8660254038 -0.5000000000 0.0000000000 -83.4891790518 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_655 -x+y+1,-x,z -0.5000000000 0.8660254038 0.0000000000 96.4050000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2014-07-23 2 'Structure model' 1 1 2014-08-06 3 'Structure model' 1 2 2014-08-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Atomic model' 2 2 'Structure model' 'Derived calculations' 3 2 'Structure model' Other 4 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 30.3757 -21.6206 4.8556 0.0569 0.0755 0.0305 0.0050 0.0383 -0.0055 0.8286 0.6170 3.4175 0.1073 -0.5825 -0.3682 0.0728 -0.1851 0.0465 0.1400 -0.0363 0.1101 -0.2110 -0.1080 -0.0365 'X-RAY DIFFRACTION' 2 ? refined 37.6773 -22.7899 -44.8317 0.0968 0.1550 0.0272 0.0301 -0.0219 0.0398 0.6407 0.4464 6.0191 0.1195 0.8329 0.1187 0.0468 0.1953 0.0554 -0.1695 0.0312 0.0908 0.0638 -0.4032 -0.0780 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 8 ? ? A 645 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 1 ? ? B 175 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.8.0069 ? 1 XDS 'data reduction' . ? 2 SCALA 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 CA _pdbx_validate_rmsd_angle.auth_asym_id_1 B _pdbx_validate_rmsd_angle.auth_comp_id_1 LEU _pdbx_validate_rmsd_angle.auth_seq_id_1 110 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 CB _pdbx_validate_rmsd_angle.auth_asym_id_2 B _pdbx_validate_rmsd_angle.auth_comp_id_2 LEU _pdbx_validate_rmsd_angle.auth_seq_id_2 110 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CG _pdbx_validate_rmsd_angle.auth_asym_id_3 B _pdbx_validate_rmsd_angle.auth_comp_id_3 LEU _pdbx_validate_rmsd_angle.auth_seq_id_3 110 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 131.87 _pdbx_validate_rmsd_angle.angle_target_value 115.30 _pdbx_validate_rmsd_angle.angle_deviation 16.57 _pdbx_validate_rmsd_angle.angle_standard_deviation 2.30 _pdbx_validate_rmsd_angle.linker_flag N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 9 ? ? -87.42 39.86 2 1 ARG A 62 ? ? 46.17 -123.76 3 1 TYR A 81 ? ? 72.64 -18.49 4 1 ASN A 96 ? ? -147.88 27.37 5 1 CYS A 97 ? ? -120.32 -150.05 6 1 SER A 146 ? ? -161.45 -162.01 7 1 MET A 168 ? ? -161.67 104.08 8 1 ARG A 201 ? ? -170.53 146.46 9 1 ASN A 250 ? ? 81.85 1.92 10 1 ALA B 5 ? ? -87.88 -72.92 11 1 THR B 59 ? ? -8.54 125.96 12 1 PHE B 63 ? ? -110.35 -119.94 13 1 GLN B 65 ? ? -140.47 -142.99 14 1 ARG B 127 ? ? 58.82 -147.37 15 1 TYR B 141 ? ? -84.21 46.25 16 1 GLN B 172 ? ? -53.67 31.99 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A BMA 633 ? PLANAR . 2 1 C1 ? A MAN 637 ? PLANAR . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 326 ? CG ? A LYS 325 CG 2 1 Y 1 A LYS 326 ? CD ? A LYS 325 CD 3 1 Y 1 A LYS 326 ? CE ? A LYS 325 CE 4 1 Y 1 A LYS 326 ? NZ ? A LYS 325 NZ 5 1 Y 1 B LYS 143 ? CG ? B LYS 143 CG 6 1 Y 1 B LYS 143 ? CD ? B LYS 143 CD 7 1 Y 1 B LYS 143 ? CE ? B LYS 143 CE 8 1 Y 1 B LYS 143 ? NZ ? B LYS 143 NZ 9 1 Y 1 B ARG 175 ? CD ? B ARG 175 CD 10 1 Y 1 B ARG 175 ? NE ? B ARG 175 NE 11 1 Y 1 B ARG 175 ? CZ ? B ARG 175 CZ 12 1 Y 1 B ARG 175 ? NH1 ? B ARG 175 NH1 13 1 Y 1 B ARG 175 ? NH2 ? B ARG 175 NH2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLN 2 ? A GLN 1 2 1 Y 1 A ASN 3 ? A ASN 2 3 1 Y 1 A PRO 4 ? A PRO 3 4 1 Y 1 A ILE 5 ? A ILE 4 5 1 Y 1 A SER 6 ? A SER 5 6 1 Y 1 A GLY 7 ? A GLY 6 7 1 Y 1 A GLN 327 ? A GLN 326 8 1 Y 1 A THR 328 ? A THR 327 9 1 Y 1 A ARG 329 ? A ARG 328 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-D-MANNOSE MAN 6 'SULFATE ION' SO4 7 water HOH #